6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid

C13H7ClF2N2O3 — CID 63641662

IUPAC6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)n1
InChIInChI=1S/C13H7ClF2N2O3/c14-7-5-9(16)8(15)4-6(7)12(19)18-11-3-1-2-10(17-11)13(20)21/h1-5H,(H,20,21)(H,17,18,19)
InChIKeyDEFJRTDEPPQPIE-UHFFFAOYSA-N
MW312.66 g/mol
LogP2.96
Rot. Bonds3

About 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid

6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63641662) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63641662
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)n1
InChIInChI=1S/C13H7ClF2N2O3/c14-7-5-9(16)8(15)4-6(7)12(19)18-11-3-1-2-10(17-11)13(20)21/h1-5H,(H,20,21)(H,17,18,19)
InChIKeyDEFJRTDEPPQPIE-UHFFFAOYSA-N
XLogP2.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid (CID 63641662) is 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)n1.
What is the InChIKey of 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DEFJRTDEPPQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-7-5-9(16)8(15)4-6(7)12(19)18-11-3-1-2-10(17-11)13(20)21/h1-5H,(H,20,21)(H,17,18,19).
What are the key properties of 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid?
6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 312.66 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4,5-difluorobenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63641662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).