2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile

C11H13ClN2 — CID 87171702

IUPAC2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile
SMILESCC(C)C(C)(C#N)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2/c1-8(2)11(3,7-13)9-4-5-10(12)14-6-9/h4-6,8H,1-3H3
InChIKeyLVUBWIITWFRDPH-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.17
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile

2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile (PubChem CID 87171702) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile
PubChem CID87171702
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile
SMILESCC(C)C(C)(C#N)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2/c1-8(2)11(3,7-13)9-4-5-10(12)14-6-9/h4-6,8H,1-3H3
InChIKeyLVUBWIITWFRDPH-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-2,3-dimethylbutanenitrile
CID 117048002
2-(6-chloro-3-pyridinyl)propan-2-amine
CID 57370214
2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)-2-methylpropanenitrile
CID 162181529
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
2-chloro-5-[2-(5-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
CID 166491535
5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine
CID 174385685
[1-(6-chloro-3-pyridinyl)ethyl-methyl-oxo-λ6-sulfanylidene]cyanamide;[2-(6-chloro-3-pyridinyl)propan-2-yl-methyl-oxo-λ6-sulfanylidene]cyanamide
CID 159594411
2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine
CID 164882420
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
2-chloro-5-methylpyridine;1,1-dichloroethane
CID 163849047
3-(6-chloro-3-pyridinyl)butan-2-ylidenecyanamide
CID 90755673

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile (CID 87171702) is 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile is CC(C)C(C)(C#N)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile?
The InChIKey is LVUBWIITWFRDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-8(2)11(3,7-13)9-4-5-10(12)14-6-9/h4-6,8H,1-3H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile?
2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile has a molecular weight of 208.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile is sourced from PubChem (CID 87171702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).