3-[hydroxy(pyridin-3-yl)methyl]benzonitrile

C13H10N2O — CID 14989408

IUPAC3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
SMILESN#Cc1cccc(C(O)c2cccnc2)c1
InChIInChI=1S/C13H10N2O/c14-8-10-3-1-4-11(7-10)13(16)12-5-2-6-15-9-12/h1-7,9,13,16H
InChIKeyUTBGIONPMFXFHT-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.03
Rot. Bonds2

About 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile

3-[hydroxy(pyridin-3-yl)methyl]benzonitrile (PubChem CID 14989408) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
PubChem CID14989408
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
SMILESN#Cc1cccc(C(O)c2cccnc2)c1
InChIInChI=1S/C13H10N2O/c14-8-10-3-1-4-11(7-10)13(16)12-5-2-6-15-9-12/h1-7,9,13,16H
InChIKeyUTBGIONPMFXFHT-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
3-[1-(cyanomethylamino)-2,2-dipyridin-3-ylethyl]benzonitrile
CID 59706219
3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 102158004
3-[hydroxy-(1-methylpyrazol-4-yl)methyl]benzonitrile
CID 115481066
3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
CID 57425770
2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 69484555
1-benzyl-3-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]urea
CID 66962978
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
2-amino-2-[4-[1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-yl]-N,N-dimethylacetamide
CID 68827578
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
The IUPAC name of 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile (CID 14989408) is 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
The canonical SMILES for 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile is N#Cc1cccc(C(O)c2cccnc2)c1.
What is the InChIKey of 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
The InChIKey is UTBGIONPMFXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-10-3-1-4-11(7-10)13(16)12-5-2-6-15-9-12/h1-7,9,13,16H.
What are the key properties of 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyridin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 14989408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).