(5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone

C12H8ClNO2 — CID 15192418

IUPAC(5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H8ClNO2/c13-9-3-4-11(15)10(6-9)12(16)8-2-1-5-14-7-8/h1-7,15H
InChIKeyNFJOTOHPTJCXNG-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.67
Rot. Bonds2

About (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone

(5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone (PubChem CID 15192418) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone
PubChem CID15192418
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name(5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H8ClNO2/c13-9-3-4-11(15)10(6-9)12(16)8-2-1-5-14-7-8/h1-7,15H
InChIKeyNFJOTOHPTJCXNG-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone (CID 15192418) is (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone?
The InChIKey is NFJOTOHPTJCXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-9-3-4-11(15)10(6-9)12(16)8-2-1-5-14-7-8/h1-7,15H.
What are the key properties of (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone?
(5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone has a molecular weight of 233.65 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 15192418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).