6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid

C14H8BrN3O3 — CID 107792674

IUPAC6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Br)c1
InChIInChI=1S/C14H8BrN3O3/c15-9-6-8(7-16)4-5-10(9)18-13(19)11-2-1-3-12(17-11)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyDJBOCJGMCGSFLR-UHFFFAOYSA-N
MW346.14 g/mol
LogP2.67
Rot. Bonds3

About 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 107792674) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID107792674
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Br)c1
InChIInChI=1S/C14H8BrN3O3/c15-9-6-8(7-16)4-5-10(9)18-13(19)11-2-1-3-12(17-11)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyDJBOCJGMCGSFLR-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

N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602474
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
CID 113231347
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
2-(1-aminoethyl)-N-(2-bromo-4-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66388871
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
2-[2-[(2-bromo-4-cyanophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107792698
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 107792674) is 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid is N#Cc1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Br)c1.
What is the InChIKey of 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DJBOCJGMCGSFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/c15-9-6-8(7-16)4-5-10(9)18-13(19)11-2-1-3-12(17-11)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-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 6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107792674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).