5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile

C11H13ClN2 — CID 171648208

IUPAC5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1ncc(Cl)cc1C#N
InChIInChI=1S/C11H13ClN2/c1-4-11(2,3)10-8(6-13)5-9(12)7-14-10/h5,7H,4H2,1-3H3
InChIKeyNPUORFFPVSDAEM-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.29
Rot. Bonds2

About 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile

5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile (PubChem CID 171648208) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile
PubChem CID171648208
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCCC(C)(C)c1ncc(Cl)cc1C#N
InChIInChI=1S/C11H13ClN2/c1-4-11(2,3)10-8(6-13)5-9(12)7-14-10/h5,7H,4H2,1-3H3
InChIKeyNPUORFFPVSDAEM-UHFFFAOYSA-N
XLogP3.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 146174656
6-(2,2-dimethylbutyl)-4-methylpyridine-3-carbonitrile
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2-(3,5-dichloro-2-pyridinyl)propan-2-amine
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N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
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2,6-ditert-butylpyridine-3,5-dicarbonitrile
CID 10377050
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917
4-chloro-2-(decylamino)benzonitrile
CID 64919418
4-chloro-2-ethoxybenzonitrile
CID 22721189
2-[(2-amino-2-ethylbutyl)amino]-5-chlorobenzonitrile
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2-chloro-4-(2-methylbutan-2-yloxy)benzonitrile
CID 62948673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile (CID 171648208) is 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile is CCC(C)(C)c1ncc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
The InChIKey is NPUORFFPVSDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-4-11(2,3)10-8(6-13)5-9(12)7-14-10/h5,7H,4H2,1-3H3.
What are the key properties of 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile?
5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile has a molecular weight of 208.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 171648208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).