4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid

C13H7Cl3N2O3 — CID 43238498

IUPAC4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C13H7Cl3N2O3/c14-8-5-17-11(10(16)9(8)15)12(19)18-7-3-1-6(2-4-7)13(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeyXNLNIVOUVISWTC-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds3

About 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid

4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 43238498) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
PubChem CID43238498
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C13H7Cl3N2O3/c14-8-5-17-11(10(16)9(8)15)12(19)18-7-3-1-6(2-4-7)13(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeyXNLNIVOUVISWTC-UHFFFAOYSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653226
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
CID 5253531
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide
CID 107845514
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
3,4,5-trichloro-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 8714296
N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide
CID 136527349

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid (CID 43238498) is 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is XNLNIVOUVISWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-5-17-11(10(16)9(8)15)12(19)18-7-3-1-6(2-4-7)13(20)21/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid?
4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 345.57 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43238498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).