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

C14H12ClFN2O4 — CID 141356821

IUPAC4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O
InChIInChI=1S/C14H12ClFN2O4/c1-21-12-7(15)4-3-6(10(12)16)9-5-8(17)13(22-2)11(18-9)14(19)20/h3-5H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyYIIWOBPLRPLXEF-UHFFFAOYSA-N
MW326.71 g/mol
LogP2.84
Rot. Bonds4

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

4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid (PubChem CID 141356821) has the molecular formula C14H12ClFN2O4 and a molecular weight of 326.71 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid
PubChem CID141356821
Molecular FormulaC14H12ClFN2O4
Molecular Weight326.71 g/mol
Exact Mass326.05
IUPAC Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O
InChIInChI=1S/C14H12ClFN2O4/c1-21-12-7(15)4-3-6(10(12)16)9-5-8(17)13(22-2)11(18-9)14(19)20/h3-5H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyYIIWOBPLRPLXEF-UHFFFAOYSA-N
XLogP2.84
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid (CID 141356821) is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid is COc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O.
What is the InChIKey of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
The InChIKey is YIIWOBPLRPLXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4/c1-21-12-7(15)4-3-6(10(12)16)9-5-8(17)13(22-2)11(18-9)14(19)20/h3-5H,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid?
4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid has a molecular weight of 326.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 141356821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).