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

C13H9ClF2N2O3 — CID 71175290

IUPAC4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)cc2F)c(F)c1N
InChIInChI=1S/C13H9ClF2N2O3/c1-21-12-9(17)8(16)10(18-11(12)13(19)20)6-3-2-5(14)4-7(6)15/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyJGFDPRYKEAHXNR-UHFFFAOYSA-N
MW314.68 g/mol
LogP2.97
Rot. Bonds3

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

4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (PubChem CID 71175290) has the molecular formula C13H9ClF2N2O3 and a molecular weight of 314.68 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
PubChem CID71175290
Molecular FormulaC13H9ClF2N2O3
Molecular Weight314.68 g/mol
Exact Mass314.03
IUPAC Name4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)cc2F)c(F)c1N
InChIInChI=1S/C13H9ClF2N2O3/c1-21-12-9(17)8(16)10(18-11(12)13(19)20)6-3-2-5(14)4-7(6)15/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyJGFDPRYKEAHXNR-UHFFFAOYSA-N
XLogP2.97
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.68
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (CID 71175290) is 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(Cl)cc2F)c(F)c1N.
What is the InChIKey of 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The InChIKey is JGFDPRYKEAHXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O3/c1-21-12-9(17)8(16)10(18-11(12)13(19)20)6-3-2-5(14)4-7(6)15/h2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid has a molecular weight of 314.68 g/mol, XLogP of 2.97, 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-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71175290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).