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

C12H7Cl2FN2O3 — CID 118973492

IUPAC4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)c(O)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7Cl2FN2O3/c13-5-2-1-4(9(15)11(5)18)7-3-6(16)8(14)10(17-7)12(19)20/h1-3,18H,(H2,16,17)(H,19,20)
InChIKeyPQHAZBLKFJTRMH-UHFFFAOYSA-N
MW317.10 g/mol
LogP3.18
Rot. Bonds2

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

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid (PubChem CID 118973492) has the molecular formula C12H7Cl2FN2O3 and a molecular weight of 317.10 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid
PubChem CID118973492
Molecular FormulaC12H7Cl2FN2O3
Molecular Weight317.10 g/mol
Exact Mass315.98
IUPAC Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)c(O)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7Cl2FN2O3/c13-5-2-1-4(9(15)11(5)18)7-3-6(16)8(14)10(17-7)12(19)20/h1-3,18H,(H2,16,17)(H,19,20)
InChIKeyPQHAZBLKFJTRMH-UHFFFAOYSA-N
XLogP3.18
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 53.18
H-Bond Donors ≤ 53
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-3-hydroxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid (CID 118973492) is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid is Nc1cc(-c2ccc(Cl)c(O)c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is PQHAZBLKFJTRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O3/c13-5-2-1-4(9(15)11(5)18)7-3-6(16)8(14)10(17-7)12(19)20/h1-3,18H,(H2,16,17)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 317.10 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 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-3-hydroxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118973492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).