4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid

C13H8ClF3N2O3 — CID 71175278

IUPAC4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2F)c(F)c1N
InChIInChI=1S/C13H8ClF3N2O3/c1-22-12-9(18)8(17)10(19-11(12)13(20)21)4-2-3-5(14)7(16)6(4)15/h2-3H,1H3,(H2,18,19)(H,20,21)
InChIKeyKGLMSCJBHSCRSE-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.11
Rot. Bonds3

About 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid

4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (PubChem CID 71175278) has the molecular formula C13H8ClF3N2O3 and a molecular weight of 332.67 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
PubChem CID71175278
Molecular FormulaC13H8ClF3N2O3
Molecular Weight332.67 g/mol
Exact Mass332.02
IUPAC Name4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2F)c(F)c1N
InChIInChI=1S/C13H8ClF3N2O3/c1-22-12-9(18)8(17)10(19-11(12)13(20)21)4-2-3-5(14)7(16)6(4)15/h2-3H,1H3,(H2,18,19)(H,20,21)
InChIKeyKGLMSCJBHSCRSE-UHFFFAOYSA-N
XLogP3.11
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (CID 71175278) is 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2F)c(F)c1N.
What is the InChIKey of 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The InChIKey is KGLMSCJBHSCRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O3/c1-22-12-9(18)8(17)10(19-11(12)13(20)21)4-2-3-5(14)7(16)6(4)15/h2-3H,1H3,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid has a molecular weight of 332.67 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71175278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).