2-(5-chloro-2-pyridinyl)hexanenitrile

C11H13ClN2 — CID 56851828

IUPAC2-(5-chloro-2-pyridinyl)hexanenitrile
SMILESCCCCC(C#N)c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3
InChIKeyABBPPOIQUOQBJB-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.53
Rot. Bonds4

About 2-(5-chloro-2-pyridinyl)hexanenitrile

2-(5-chloro-2-pyridinyl)hexanenitrile (PubChem CID 56851828) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)hexanenitrile.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)hexanenitrile
PubChem CID56851828
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(5-chloro-2-pyridinyl)hexanenitrile
SMILESCCCCC(C#N)c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3
InChIKeyABBPPOIQUOQBJB-UHFFFAOYSA-N
XLogP3.53
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
2-Isobutylpyridine
CID 61385
2-Isopropylpyridine
CID 69523
(-)-Chlorpheniramine
CID 716121
5-Hexyl-2-methyl pyridine
CID 522401
2-(3-Pentyl)pyridine
CID 81887
2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
2-(4'-Chlorobenzyl)pyridine
CID 78054
Pyridine, 2-(1-butylpentyl)-
CID 137778
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile
CID 2764123

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)hexanenitrile?
The IUPAC name of 2-(5-chloro-2-pyridinyl)hexanenitrile (CID 56851828) is 2-(5-chloro-2-pyridinyl)hexanenitrile.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)hexanenitrile?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)hexanenitrile is CCCCC(C#N)c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)hexanenitrile?
The InChIKey is ABBPPOIQUOQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)hexanenitrile?
2-(5-chloro-2-pyridinyl)hexanenitrile has a molecular weight of 208.69 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)hexanenitrile is sourced from PubChem (CID 56851828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).