ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

C16H15BrN2O3 — CID 5169363

IUPACethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C16H15BrN2O3/c1-3-22-16(21)14-6-4-5-13(18-14)15(20)19-12-8-7-10(2)9-11(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyFTNGAYSRLDFZGO-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.58
Rot. Bonds4

About ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 5169363) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID5169363
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Nameethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C16H15BrN2O3/c1-3-22-16(21)14-6-4-5-13(18-14)15(20)19-12-8-7-10(2)9-11(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyFTNGAYSRLDFZGO-UHFFFAOYSA-N
XLogP3.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
ethyl 6-[(2-bromo-4-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 23735991
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
ethyl 6-[(4-methyl-2-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 5154245
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
N-(2-bromo-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 82758471
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
N-(2-bromo-5-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 82750044
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (CID 5169363) is ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1.
What is the InChIKey of ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is FTNGAYSRLDFZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-3-22-16(21)14-6-4-5-13(18-14)15(20)19-12-8-7-10(2)9-11(12)17/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 363.21 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 5169363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).