(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone

C12H8ClNO3 — CID 10682094

IUPAC(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cc1O)c1ncccc1O
InChIInChI=1S/C12H8ClNO3/c13-7-3-4-8(10(16)6-7)12(17)11-9(15)2-1-5-14-11/h1-6,15-16H
InChIKeyQCLMSVVKYGVHMV-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.38
Rot. Bonds2

About (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone

(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 10682094) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
PubChem CID10682094
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cc1O)c1ncccc1O
InChIInChI=1S/C12H8ClNO3/c13-7-3-4-8(10(16)6-7)12(17)11-9(15)2-1-5-14-11/h1-6,15-16H
InChIKeyQCLMSVVKYGVHMV-UHFFFAOYSA-N
XLogP2.38
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
CID 23355545
2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
CID 19701612
3-(5-chloro-2-fluorobenzoyl)pyridine-2-carboxylic acid
CID 23355556
(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 139764301
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
CID 154508101
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate
CID 43054090
1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
CID 146015296
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
CID 106761878

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone (CID 10682094) is (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ccc(Cl)cc1O)c1ncccc1O.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is QCLMSVVKYGVHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-7-3-4-8(10(16)6-7)12(17)11-9(15)2-1-5-14-11/h1-6,15-16H.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 249.65 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 10682094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).