2-chloro-3-hexylpyridine

C11H16ClN — CID 54056214

IUPAC2-chloro-3-hexylpyridine
SMILESCCCCCCc1cccnc1Cl
InChIInChI=1S/C11H16ClN/c1-2-3-4-5-7-10-8-6-9-13-11(10)12/h6,8-9H,2-5,7H2,1H3
InChIKeyWBFCRXLWSGGLFF-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.86
Rot. Bonds5

About 2-chloro-3-hexylpyridine

2-chloro-3-hexylpyridine (PubChem CID 54056214) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-chloro-3-hexylpyridine.

Molecular Properties

Compound Name2-chloro-3-hexylpyridine
PubChem CID54056214
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-chloro-3-hexylpyridine
SMILESCCCCCCc1cccnc1Cl
InChIInChI=1S/C11H16ClN/c1-2-3-4-5-7-10-8-6-9-13-11(10)12/h6,8-9H,2-5,7H2,1H3
InChIKeyWBFCRXLWSGGLFF-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-pentylpyridine
CID 54505218
3-heptyl-2-methylpyridine
CID 134369519
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
2-dodecyl-3-ethylpyridine
CID 160514040
2-(2-octylphenyl)pyridine
CID 15643012
2-nonylpyrimidine
CID 23297050
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hexylpyridine?
The IUPAC name of 2-chloro-3-hexylpyridine (CID 54056214) is 2-chloro-3-hexylpyridine.
What is the SMILES notation for 2-chloro-3-hexylpyridine?
The canonical SMILES for 2-chloro-3-hexylpyridine is CCCCCCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-hexylpyridine?
The InChIKey is WBFCRXLWSGGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-2-3-4-5-7-10-8-6-9-13-11(10)12/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-chloro-3-hexylpyridine?
2-chloro-3-hexylpyridine has a molecular weight of 197.71 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hexylpyridine is sourced from PubChem (CID 54056214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).