2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid

C13H7Cl2FN2O3 — CID 63653408

IUPAC2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-5-9(15)10(16)4-7(8)12(19)18-11-6(13(20)21)2-1-3-17-11/h1-5H,(H,20,21)(H,17,18,19)
InChIKeyOTGNRZXHKNKUQY-UHFFFAOYSA-N
MW329.11 g/mol
LogP3.48
Rot. Bonds3

About 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid

2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 63653408) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID63653408
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC Name2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-5-9(15)10(16)4-7(8)12(19)18-11-6(13(20)21)2-1-3-17-11/h1-5H,(H,20,21)(H,17,18,19)
InChIKeyOTGNRZXHKNKUQY-UHFFFAOYSA-N
XLogP3.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 17394617
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653226

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid (CID 63653408) is 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is OTGNRZXHKNKUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-8-5-9(15)10(16)4-7(8)12(19)18-11-6(13(20)21)2-1-3-17-11/h1-5H,(H,20,21)(H,17,18,19).
What are the key properties of 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 329.11 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63653408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).