(4-hydroxyphenyl)-pyridin-3-ylmethanone

C12H9NO2 — CID 3015820

IUPAC(4-hydroxyphenyl)-pyridin-3-ylmethanone
SMILESO=C(c1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C12H9NO2/c14-11-5-3-9(4-6-11)12(15)10-2-1-7-13-8-10/h1-8,14H
InChIKeyFLWUMGDFGOLPGQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.02
Rot. Bonds2

About (4-hydroxyphenyl)-pyridin-3-ylmethanone

(4-hydroxyphenyl)-pyridin-3-ylmethanone (PubChem CID 3015820) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is (4-hydroxyphenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-pyridin-3-ylmethanone
PubChem CID3015820
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name(4-hydroxyphenyl)-pyridin-3-ylmethanone
SMILESO=C(c1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C12H9NO2/c14-11-5-3-9(4-6-11)12(15)10-2-1-7-13-8-10/h1-8,14H
InChIKeyFLWUMGDFGOLPGQ-UHFFFAOYSA-N
XLogP2.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-pyridin-3-ylmethanone?
The IUPAC name of (4-hydroxyphenyl)-pyridin-3-ylmethanone (CID 3015820) is (4-hydroxyphenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-hydroxyphenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-hydroxyphenyl)-pyridin-3-ylmethanone is O=C(c1ccc(O)cc1)c1cccnc1.
What is the InChIKey of (4-hydroxyphenyl)-pyridin-3-ylmethanone?
The InChIKey is FLWUMGDFGOLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-11-5-3-9(4-6-11)12(15)10-2-1-7-13-8-10/h1-8,14H.
What are the key properties of (4-hydroxyphenyl)-pyridin-3-ylmethanone?
(4-hydroxyphenyl)-pyridin-3-ylmethanone has a molecular weight of 199.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 3015820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).