2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile

C9H9ClN2O — CID 143183196

IUPAC2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile
SMILESCC(C#N)c1ncc(CO)cc1Cl
InChIInChI=1S/C9H9ClN2O/c1-6(3-11)9-8(10)2-7(5-13)4-12-9/h2,4,6,13H,5H2,1H3
InChIKeyTYVHXVWDLVMLMP-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.85
Rot. Bonds2

About 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile

2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile (PubChem CID 143183196) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile
PubChem CID143183196
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile
SMILESCC(C#N)c1ncc(CO)cc1Cl
InChIInChI=1S/C9H9ClN2O/c1-6(3-11)9-8(10)2-7(5-13)4-12-9/h2,4,6,13H,5H2,1H3
InChIKeyTYVHXVWDLVMLMP-UHFFFAOYSA-N
XLogP1.85
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile
CID 174531970
(5-chloro-6-iodo-3-pyridinyl)methanol
CID 58001734
[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 61257693
[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
CID 102915156
3-bromo-2-(3,5-dichloro-2-pyridinyl)propanenitrile
CID 63216092
5-(bromomethyl)-2,3-dichloropyridine;(5,6-dichloro-3-pyridinyl)methanol
CID 158882094
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
[5-(difluoromethoxy)-6-propan-2-yl-3-pyridinyl]methanol
CID 176611253
2-(difluoromethyl)-5-(hydroxymethyl)pyridin-3-ol
CID 118820519
[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 79183709

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile?
The IUPAC name of 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile (CID 143183196) is 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile.
What is the SMILES notation for 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile?
The canonical SMILES for 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile is CC(C#N)c1ncc(CO)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile?
The InChIKey is TYVHXVWDLVMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-6(3-11)9-8(10)2-7(5-13)4-12-9/h2,4,6,13H,5H2,1H3.
What are the key properties of 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile?
2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile has a molecular weight of 196.64 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]propanenitrile is sourced from PubChem (CID 143183196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).