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

C13H7Cl3FNO3 — CID 86709868

IUPAC4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)O)cc(Cl)c2Cl)c1F
InChIInChI=1S/C13H7Cl3FNO3/c1-21-12-6(14)3-2-5(10(12)17)11-9(16)7(15)4-8(18-11)13(19)20/h2-4H,1H3,(H,19,20)
InChIKeyZAYTUZJMFVYJSU-UHFFFAOYSA-N
MW350.56 g/mol
LogP4.55
Rot. Bonds3

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

4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 86709868) has the molecular formula C13H7Cl3FNO3 and a molecular weight of 350.56 g/mol. Its IUPAC name is 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID86709868
Molecular FormulaC13H7Cl3FNO3
Molecular Weight350.56 g/mol
Exact Mass348.95
IUPAC Name4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)O)cc(Cl)c2Cl)c1F
InChIInChI=1S/C13H7Cl3FNO3/c1-21-12-6(14)3-2-5(10(12)17)11-9(16)7(15)4-8(18-11)13(19)20/h2-4H,1H3,(H,19,20)
InChIKeyZAYTUZJMFVYJSU-UHFFFAOYSA-N
XLogP4.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid (CID 86709868) is 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid is COc1c(Cl)ccc(-c2nc(C(=O)O)cc(Cl)c2Cl)c1F.
What is the InChIKey of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is ZAYTUZJMFVYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO3/c1-21-12-6(14)3-2-5(10(12)17)11-9(16)7(15)4-8(18-11)13(19)20/h2-4H,1H3,(H,19,20).
What are the key properties of 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid?
4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 350.56 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 86709868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).