N#Cc1ccc(Br)nc1
CAS: 139585-70-9
Name: 6-bromopyridine-3-carbonitrile
SMILES: N#Cc1ccc(Br)nc1

Molecular Processing

Molecular formula
C6H3BrN2
Molecular weight
183.01
Exact mass
181.948
XLogP
1.72
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.65

Supplementary Information

InChIKey: XHYGUDGTUJPSNX-UHFFFAOYSA-N
Synonyme
6-bromopyridine-3-carbonitrileRefChem:541285676-398-02-Bromo-5-cyanopyridine139585-70-96-bromonicotinonitrile3-Pyridinecarbonitrile, 6-bromo-6-bromo-nicotinonitrileMFCD002341416-bromo-3-pyridinecarbonitrile5-cyano-2-bromopyridine2-bromo-5-pyridinecarbonitrile2-bromo-5-cyano-pyridineSCHEMBL239071orb2939947SCHEMBL62168596-bromo-pyridine-3-carbonitrileSCHEMBL29648272DTXSID30407447XHYGUDGTUJPSNX-UHFFFAOYSA-NRB1003SBB054266TYD-006332-bromo-5-cyanopyridine, AldrichCPRAKOS005254958AB05142AC-2939CS-W004337HY-W004337PS-5479
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