(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile

C9H10N2O — CID 97034653

IUPAC(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile
SMILESN#C[C@H](CO)Cc1cccnc1
InChIInChI=1S/C9H10N2O/c10-5-9(7-12)4-8-2-1-3-11-6-8/h1-3,6,9,12H,4,7H2/t9-/m1/s1
InChIKeyITJVDWYQSKLWOX-SECBINFHSA-N
MW162.19 g/mol
LogP0.76
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile

(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile (PubChem CID 97034653) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile
PubChem CID97034653
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile
SMILESN#C[C@H](CO)Cc1cccnc1
InChIInChI=1S/C9H10N2O/c10-5-9(7-12)4-8-2-1-3-11-6-8/h1-3,6,9,12H,4,7H2/t9-/m1/s1
InChIKeyITJVDWYQSKLWOX-SECBINFHSA-N
XLogP0.76
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hydroxymethyl)-3-pyridin-4-ylpropanenitrile
CID 97035089
2-bromo-3-pyridin-3-ylpropan-1-ol
CID 70078004
2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
CID 82074886
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
CID 82091574
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
3-(4-methylpiperazin-1-yl)-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82121004
3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82118256
bromomethane;pyridin-3-ylmethanol
CID 158702197

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile?
The IUPAC name of (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile (CID 97034653) is (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile is N#C[C@H](CO)Cc1cccnc1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile?
The InChIKey is ITJVDWYQSKLWOX-SECBINFHSA-N. The full InChI is InChI=1S/C9H10N2O/c10-5-9(7-12)4-8-2-1-3-11-6-8/h1-3,6,9,12H,4,7H2/t9-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile?
(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile has a molecular weight of 162.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 97034653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).