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

C14H8ClN3O3 — CID 63614768

IUPAC2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H8ClN3O3/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)
InChIKeyZWZZGNRHEOICCY-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.56
Rot. Bonds3

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

2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614768) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63614768
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H8ClN3O3/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)
InChIKeyZWZZGNRHEOICCY-UHFFFAOYSA-N
XLogP2.56
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 63614768) is 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid is N#Cc1ccc(Cl)cc1NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ZWZZGNRHEOICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/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-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 301.69 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).