2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid

C12H9ClN2O3 — CID 53223562

IUPAC2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESNc1ncc(-c2cc(O)ccc2Cl)cc1C(=O)O
InChIInChI=1S/C12H9ClN2O3/c13-10-2-1-7(16)4-8(10)6-3-9(12(17)18)11(14)15-5-6/h1-5,16H,(H2,14,15)(H,17,18)
InChIKeyWGSWMFFMFKWQJH-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid

2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53223562) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid
PubChem CID53223562
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESNc1ncc(-c2cc(O)ccc2Cl)cc1C(=O)O
InChIInChI=1S/C12H9ClN2O3/c13-10-2-1-7(16)4-8(10)6-3-9(12(17)18)11(14)15-5-6/h1-5,16H,(H2,14,15)(H,17,18)
InChIKeyWGSWMFFMFKWQJH-UHFFFAOYSA-N
XLogP2.39
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid (CID 53223562) is 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid is Nc1ncc(-c2cc(O)ccc2Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is WGSWMFFMFKWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-10-2-1-7(16)4-8(10)6-3-9(12(17)18)11(14)15-5-6/h1-5,16H,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid?
2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 264.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).