4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid

C13H9Cl2FN2O3 — CID 67420302

IUPAC4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(-c2cc(N)c(Cl)c(C(=O)O)n2)c(F)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O3/c1-21-10-2-5(7(16)3-6(10)14)9-4-8(17)11(15)12(18-9)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyFFSQMWFGYFNDFW-UHFFFAOYSA-N
MW331.13 g/mol
LogP3.48
Rot. Bonds3

About 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid

4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 67420302) has the molecular formula C13H9Cl2FN2O3 and a molecular weight of 331.13 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID67420302
Molecular FormulaC13H9Cl2FN2O3
Molecular Weight331.13 g/mol
Exact Mass330.00
IUPAC Name4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(-c2cc(N)c(Cl)c(C(=O)O)n2)c(F)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O3/c1-21-10-2-5(7(16)3-6(10)14)9-4-8(17)11(15)12(18-9)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyFFSQMWFGYFNDFW-UHFFFAOYSA-N
XLogP3.48
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid (CID 67420302) is 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid is COc1cc(-c2cc(N)c(Cl)c(C(=O)O)n2)c(F)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is FFSQMWFGYFNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O3/c1-21-10-2-5(7(16)3-6(10)14)9-4-8(17)11(15)12(18-9)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 331.13 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67420302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).