2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid

C13H8ClFN2O3 — CID 70127217

IUPAC2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid
SMILESNc1nccc(C(=O)c2cc(F)ccc2Cl)c1C(=O)O
InChIInChI=1S/C13H8ClFN2O3/c14-9-2-1-6(15)5-8(9)11(18)7-3-4-17-12(16)10(7)13(19)20/h1-5H,(H2,16,17)(H,19,20)
InChIKeyZXUSGVSTZQCXPL-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid

2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid (PubChem CID 70127217) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid
PubChem CID70127217
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid
SMILESNc1nccc(C(=O)c2cc(F)ccc2Cl)c1C(=O)O
InChIInChI=1S/C13H8ClFN2O3/c14-9-2-1-6(15)5-8(9)11(18)7-3-4-17-12(16)10(7)13(19)20/h1-5H,(H2,16,17)(H,19,20)
InChIKeyZXUSGVSTZQCXPL-UHFFFAOYSA-N
XLogP2.39
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid (CID 70127217) is 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid is Nc1nccc(C(=O)c2cc(F)ccc2Cl)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid?
The InChIKey is ZXUSGVSTZQCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-2-1-6(15)5-8(9)11(18)7-3-4-17-12(16)10(7)13(19)20/h1-5H,(H2,16,17)(H,19,20).
What are the key properties of 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid?
2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid has a molecular weight of 294.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-5-fluorobenzoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).