2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile

C13H10N2O — CID 70704184

IUPAC2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1CO
InChIInChI=1S/C13H10N2O/c14-8-12-11(6-7-15-13(12)9-16)10-4-2-1-3-5-10/h1-7,16H,9H2
InChIKeyZJTYQLNSEKRWBS-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.11
Rot. Bonds2

About 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile

2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile (PubChem CID 70704184) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
PubChem CID70704184
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1CO
InChIInChI=1S/C13H10N2O/c14-8-12-11(6-7-15-13(12)9-16)10-4-2-1-3-5-10/h1-7,16H,9H2
InChIKeyZJTYQLNSEKRWBS-UHFFFAOYSA-N
XLogP2.11
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile (CID 70704184) is 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)ccnc1CO.
What is the InChIKey of 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile?
The InChIKey is ZJTYQLNSEKRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-12-11(6-7-15-13(12)9-16)10-4-2-1-3-5-10/h1-7,16H,9H2.
What are the key properties of 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile?
2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 70704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).