2-chloro-3-pentylpyridine

C10H14ClN — CID 54505218

IUPAC2-chloro-3-pentylpyridine
SMILESCCCCCc1cccnc1Cl
InChIInChI=1S/C10H14ClN/c1-2-3-4-6-9-7-5-8-12-10(9)11/h5,7-8H,2-4,6H2,1H3
InChIKeyKQXRQTZABBBZMU-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-3-pentylpyridine

2-chloro-3-pentylpyridine (PubChem CID 54505218) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-3-pentylpyridine.

Molecular Properties

Compound Name2-chloro-3-pentylpyridine
PubChem CID54505218
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-3-pentylpyridine
SMILESCCCCCc1cccnc1Cl
InChIInChI=1S/C10H14ClN/c1-2-3-4-6-9-7-5-8-12-10(9)11/h5,7-8H,2-4,6H2,1H3
InChIKeyKQXRQTZABBBZMU-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.47
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-hexylpyridine
CID 54056214
3-heptyl-2-methylpyridine
CID 134369519
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
(3-pentyl-2-pyridinyl)methanol
CID 166644621
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
2-dodecyl-3-ethylpyridine
CID 160514040
2-(2-octylphenyl)pyridine
CID 15643012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pentylpyridine?
The IUPAC name of 2-chloro-3-pentylpyridine (CID 54505218) is 2-chloro-3-pentylpyridine.
What is the SMILES notation for 2-chloro-3-pentylpyridine?
The canonical SMILES for 2-chloro-3-pentylpyridine is CCCCCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-pentylpyridine?
The InChIKey is KQXRQTZABBBZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-3-4-6-9-7-5-8-12-10(9)11/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-chloro-3-pentylpyridine?
2-chloro-3-pentylpyridine has a molecular weight of 183.68 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-pentylpyridine is sourced from PubChem (CID 54505218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).