2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H8Cl2N2O3 — CID 53270655

IUPAC2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-4-3-7(6-10(9)15)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyLZGMCNIIYRFDAZ-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.34
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270655) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270655
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-4-3-7(6-10(9)15)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyLZGMCNIIYRFDAZ-UHFFFAOYSA-N
XLogP3.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614444
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615601
2-[[4-(cyanomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616249
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270655) is 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is LZGMCNIIYRFDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-9-4-3-7(6-10(9)15)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 311.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).