3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile

C10H11ClN2 — CID 161221932

IUPAC3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile
SMILESCC(C)Cc1cncc(Cl)c1C#N
InChIInChI=1S/C10H11ClN2/c1-7(2)3-8-5-13-6-10(11)9(8)4-12/h5-7H,3H2,1-2H3
InChIKeyUXPYBOHJBSOENR-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.81
Rot. Bonds2

About 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile

3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile (PubChem CID 161221932) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile
PubChem CID161221932
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile
SMILESCC(C)Cc1cncc(Cl)c1C#N
InChIInChI=1S/C10H11ClN2/c1-7(2)3-8-5-13-6-10(11)9(8)4-12/h5-7H,3H2,1-2H3
InChIKeyUXPYBOHJBSOENR-UHFFFAOYSA-N
XLogP2.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
CID 66920870
3,4-bis(2-methylpropyl)-5-propan-2-ylpyridine
CID 130291587
3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 130089630
5-chloro-4-(2-methylpropyl)-1,2-thiazole
CID 140701370
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
CID 134635786
3-(bromomethyl)-5-chloro-4-methoxypyridine
CID 130849755
3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine
CID 176962230
3-chloro-4-(2-methylpropyl)thiophene
CID 146177932
4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
CID 117260673
2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
CID 118828135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile (CID 161221932) is 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile is CC(C)Cc1cncc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile?
The InChIKey is UXPYBOHJBSOENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-7(2)3-8-5-13-6-10(11)9(8)4-12/h5-7H,3H2,1-2H3.
What are the key properties of 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile?
3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile has a molecular weight of 194.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile is sourced from PubChem (CID 161221932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).