2-(2-chloro-4-pyridinyl)hexanenitrile

C11H13ClN2 — CID 175269832

IUPAC2-(2-chloro-4-pyridinyl)hexanenitrile
SMILESCCCCC(C#N)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2/c1-2-3-4-10(8-13)9-5-6-14-11(12)7-9/h5-7,10H,2-4H2,1H3
InChIKeyJEPJQUKCQJRRFV-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.53
Rot. Bonds4

About 2-(2-chloro-4-pyridinyl)hexanenitrile

2-(2-chloro-4-pyridinyl)hexanenitrile (PubChem CID 175269832) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)hexanenitrile.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)hexanenitrile
PubChem CID175269832
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(2-chloro-4-pyridinyl)hexanenitrile
SMILESCCCCC(C#N)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2/c1-2-3-4-10(8-13)9-5-6-14-11(12)7-9/h5-7,10H,2-4H2,1H3
InChIKeyJEPJQUKCQJRRFV-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

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chloro-4-pyridinyl)ethyl]pentan-1-amine
CID 115705766
(2R)-2-(4-chlorophenyl)decanenitrile
CID 125465892
2-(4-tert-butylphenyl)hexanenitrile
CID 164597888
(3R)-3-amino-3-(2-chloro-4-pyridinyl)propanenitrile
CID 55276398
2-(4-chloro-2-fluorophenyl)hexanenitrile
CID 56604891
2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile
CID 19738042
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
2-chloro-4-pentadecylpyridine
CID 174517606
2-chloro-4-hexadecylpyridine
CID 170566187
1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 55294166
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
2-(5-bromofuran-2-yl)hexanenitrile
CID 70543529

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)hexanenitrile?
The IUPAC name of 2-(2-chloro-4-pyridinyl)hexanenitrile (CID 175269832) is 2-(2-chloro-4-pyridinyl)hexanenitrile.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)hexanenitrile?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)hexanenitrile is CCCCC(C#N)c1ccnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)hexanenitrile?
The InChIKey is JEPJQUKCQJRRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-3-4-10(8-13)9-5-6-14-11(12)7-9/h5-7,10H,2-4H2,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)hexanenitrile?
2-(2-chloro-4-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-(2-chloro-4-pyridinyl)hexanenitrile is sourced from PubChem (CID 175269832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).