2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid

C12H8ClNO3 — CID 53222587

IUPAC2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)cnc1Cl
InChIInChI=1S/C12H8ClNO3/c13-11-10(12(16)17)5-8(6-14-11)7-1-3-9(15)4-2-7/h1-6,15H,(H,16,17)
InChIKeyNOIBRNDVJJYGQP-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid

2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid (PubChem CID 53222587) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
PubChem CID53222587
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)cnc1Cl
InChIInChI=1S/C12H8ClNO3/c13-11-10(12(16)17)5-8(6-14-11)7-1-3-9(15)4-2-7/h1-6,15H,(H,16,17)
InChIKeyNOIBRNDVJJYGQP-UHFFFAOYSA-N
XLogP2.81
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
CID 117222130
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222558
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-3-carboxylic acid
CID 53224663
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224514
2-chloro-5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyridine-3-carboxylic acid
CID 11846213
2-chloro-5-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxylic acid
CID 53224480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid (CID 53222587) is 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(O)cc2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is NOIBRNDVJJYGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-11-10(12(16)17)5-8(6-14-11)7-1-3-9(15)4-2-7/h1-6,15H,(H,16,17).
What are the key properties of 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid?
2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 249.65 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53222587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).