5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid

C13H10ClNO3 — CID 170210771

IUPAC5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
SMILESCc1c(-c2cccc(Cl)c2)cnc(C(=O)O)c1O
InChIInChI=1S/C13H10ClNO3/c1-7-10(8-3-2-4-9(14)5-8)6-15-11(12(7)16)13(17)18/h2-6,16H,1H3,(H,17,18)
InChIKeyWWRYZTYFCSKUBZ-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.11
Rot. Bonds2

About 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid

5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid (PubChem CID 170210771) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
PubChem CID170210771
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
SMILESCc1c(-c2cccc(Cl)c2)cnc(C(=O)O)c1O
InChIInChI=1S/C13H10ClNO3/c1-7-10(8-3-2-4-9(14)5-8)6-15-11(12(7)16)13(17)18/h2-6,16H,1H3,(H,17,18)
InChIKeyWWRYZTYFCSKUBZ-UHFFFAOYSA-N
XLogP3.11
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid (CID 170210771) is 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid is Cc1c(-c2cccc(Cl)c2)cnc(C(=O)O)c1O.
What is the InChIKey of 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid?
The InChIKey is WWRYZTYFCSKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-7-10(8-3-2-4-9(14)5-8)6-15-11(12(7)16)13(17)18/h2-6,16H,1H3,(H,17,18).
What are the key properties of 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid?
5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 170210771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).