2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid

C14H8BrN3O3 — CID 107797195

IUPAC2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H8BrN3O3/c15-9-4-3-8(7-16)11(6-9)18-13(19)12-10(14(20)21)2-1-5-17-12/h1-6H,(H,18,19)(H,20,21)
InChIKeyYNYLYZGUOJAQPR-UHFFFAOYSA-N
MW346.14 g/mol
LogP2.67
Rot. Bonds3

About 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 107797195) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID107797195
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H8BrN3O3/c15-9-4-3-8(7-16)11(6-9)18-13(19)12-10(14(20)21)2-1-5-17-12/h1-6H,(H,18,19)(H,20,21)
InChIKeyYNYLYZGUOJAQPR-UHFFFAOYSA-N
XLogP2.67
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614768
2-(5-bromo-2-cyanoanilino)pyridine-3-carboxylic acid
CID 107799260
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470730
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 107797195) is 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid is N#Cc1ccc(Br)cc1NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YNYLYZGUOJAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/c15-9-4-3-8(7-16)11(6-9)18-13(19)12-10(14(20)21)2-1-5-17-12/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 346.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107797195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).