CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)I
CAS: 192189-18-7
Nombre: tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)I

Molecular Processing

Molecular formula
C12H13IN2O2
Molecular weight
344.15
Exact mass
344.0022
XLogP
3.42
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
74.08

Supplementary Information

InChIKey: YNWXYUIDHAWPLF-UHFFFAOYSA-N
Sinónimos
TERT-BUTYL 3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATEDTXSID90634752tert-butyl 3-iodo-1H-pyrrolo(2,3-b)pyridine-1-carboxylateRefChem:893383DTXCID00585504994-585-8192189-18-71-Boc-3-Iodo-7-azaindole3-Iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl estertert-butyl 3-iodopyrrolo[2,3-b]pyridine-1-carboxylateMFCD087415261H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID, 3-IODO-, 1,1-DIMETHYLETHYL ESTER3-Iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acidtert-butyl esterSCHEMBL295518SCHEMBL29631631YNWXYUIDHAWPLF-UHFFFAOYSA-NAKOS015836985AB48800DS-0366SY040785CS-0004803F076239tert-butyl 3-iodo-(1H)-pyrrolo[2,3-b]pyridine-1-carboxylateTERT-BUTYL3-IODO-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE1-Boc-3-iodo-7-azaindole;3-Iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acidtert-butyl ester3-Iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, AldrichCPR
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