CCOC(=O)C1=CC(=CN=C1)Br
CAS: 20986-40-7
الاسم: ethyl 5-bromopyridine-3-carboxylate
SMILES: CCOC(=O)C1=CC(=CN=C1)Br

Molecular Processing

Molecular formula
C8H8BrNO2
Molecular weight
230.06
Exact mass
228.9738
XLogP
2.02
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
47.89

Supplementary Information

InChIKey: PCPIANOJERKFJI-UHFFFAOYSA-N
مرادفات
ethyl 5-bromopyridine-3-carboxylateRefChem:595730674-614-8Ethyl 5-bromonicotinate20986-40-75-bromonicotinic acid ethyl ester3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, ETHYL ESTER5-Bromo-3-pyridinecarboxylic Acid Ethyl EsterMFCD00040366Ethyl 5-Bromo-3-pyridinecarboxylateETHYL5-BROMONICOTINATEethyl-5-bromonicotinateMaybridge1_0060793-bromo-5-pyridine-carboxylic acid ethyl ester3-bromo-5-carboethoxypyridineSCHEMBL158686SCHEMBL29597594HMS558M07DTXSID101751975-bromo nicotinic acid ethyl ester5-bromo-nicotinic acid ethyl esterALBB-019948Ethyl 5-bromonicotinate, AldrichCPRCCG-41718NSC363896RB1029SBB005820STK784022AKOS000265047AB01806
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