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

C10H11ClN2O — CID 174531970

IUPAC3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C#N)Cc1ncc(CO)cc1Cl
InChIInChI=1S/C10H11ClN2O/c1-7(4-12)2-10-9(11)3-8(6-14)5-13-10/h3,5,7,14H,2,6H2,1H3
InChIKeyQQBLXXPOHMKTOB-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.93
Rot. Bonds3

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

3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 174531970) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile
PubChem CID174531970
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C#N)Cc1ncc(CO)cc1Cl
InChIInChI=1S/C10H11ClN2O/c1-7(4-12)2-10-9(11)3-8(6-14)5-13-10/h3,5,7,14H,2,6H2,1H3
InChIKeyQQBLXXPOHMKTOB-UHFFFAOYSA-N
XLogP1.93
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile (CID 174531970) is 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile is CC(C#N)Cc1ncc(CO)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is QQBLXXPOHMKTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(4-12)2-10-9(11)3-8(6-14)5-13-10/h3,5,7,14H,2,6H2,1H3.
What are the key properties of 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile?
3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 210.66 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 174531970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).