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

C13H9ClF2N2O3 — CID 71175273

IUPAC4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2)c(F)c1N
InChIInChI=1S/C13H9ClF2N2O3/c1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyOERVUNSBFXJPHW-UHFFFAOYSA-N
MW314.68 g/mol
LogP2.97
Rot. Bonds3

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

4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (PubChem CID 71175273) has the molecular formula C13H9ClF2N2O3 and a molecular weight of 314.68 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
PubChem CID71175273
Molecular FormulaC13H9ClF2N2O3
Molecular Weight314.68 g/mol
Exact Mass314.03
IUPAC Name4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2)c(F)c1N
InChIInChI=1S/C13H9ClF2N2O3/c1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyOERVUNSBFXJPHW-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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Related Compounds

4-amino-6-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
CID 90437760
4-amino-6-(2,5-difluoro-4-iodophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
CID 71175280
methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70497567
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 71175262
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid;dichloropalladium;bis(triphenylphosphanium)
CID 90410575
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
4-amino-3-chloro-5-fluoro-6-[4-(2-oxoethenyl)phenyl]pyridine-2-carboxylic acid
CID 176525919

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (CID 71175273) is 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2)c(F)c1N.
What is the InChIKey of 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The InChIKey is OERVUNSBFXJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O3/c1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5/h2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
4-amino-6-(4-chloro-3-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-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71175273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).