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

C13H10N2O — CID 69484555

IUPAC2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(O)c1cccnc1
InChIInChI=1S/C13H10N2O/c14-8-10-4-1-2-6-12(10)13(16)11-5-3-7-15-9-11/h1-7,9,13,16H
InChIKeyZPWKCMZRSPTNRV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.03
Rot. Bonds2

About 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile

2-[hydroxy(pyridin-3-yl)methyl]benzonitrile (PubChem CID 69484555) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
PubChem CID69484555
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(O)c1cccnc1
InChIInChI=1S/C13H10N2O/c14-8-10-4-1-2-6-12(10)13(16)11-5-3-7-15-9-11/h1-7,9,13,16H
InChIKeyZPWKCMZRSPTNRV-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

2-[aminooxy(pyridin-3-yl)methyl]benzonitrile
CID 69032428
2-[(4-cyanophenyl)-pyridin-3-ylmethyl]benzonitrile
CID 15079840
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
(2-cyclopropylphenyl)-pyridin-3-ylmethanol
CID 79982582
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
CID 114980240
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene
CID 70482779

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
The IUPAC name of 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile (CID 69484555) is 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
The canonical SMILES for 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile is N#Cc1ccccc1C(O)c1cccnc1.
What is the InChIKey of 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
The InChIKey is ZPWKCMZRSPTNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-10-4-1-2-6-12(10)13(16)11-5-3-7-15-9-11/h1-7,9,13,16H.
What are the key properties of 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile?
2-[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 2-[hydroxy(pyridin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 69484555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).