2-chloro-6-pentylpyridine

C10H14ClN — CID 14570984

IUPAC2-chloro-6-pentylpyridine
SMILESCCCCCc1cccc(Cl)n1
InChIInChI=1S/C10H14ClN/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
InChIKeyXEDZFDCRWCQHJS-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-6-pentylpyridine

2-chloro-6-pentylpyridine (PubChem CID 14570984) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-6-pentylpyridine.

Molecular Properties

Compound Name2-chloro-6-pentylpyridine
PubChem CID14570984
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-6-pentylpyridine
SMILESCCCCCc1cccc(Cl)n1
InChIInChI=1S/C10H14ClN/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
InChIKeyXEDZFDCRWCQHJS-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

2,6-dipentylpyridine
CID 58097448
2,6-didodecylpyridine
CID 90943274
2-chloro-6-(3-fluoropropyl)pyridine
CID 173285144
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
(6-butyl-2-pyridinyl)methanamine
CID 67813294
2-nitro-6-pentylpyridine
CID 141164963
2-chloro-6-(chloromethyl)pyridine
CID 15574440
N-butyl-N-[(6-chloro-2-pyridinyl)methyl]aniline
CID 79241318
tris(6-butyl-2-pyridinyl)phosphane
CID 54182006
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
2-[3-bromo-5-(6-octyl-2-pyridinyl)phenyl]-6-octylpyridine
CID 163215048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pentylpyridine?
The IUPAC name of 2-chloro-6-pentylpyridine (CID 14570984) is 2-chloro-6-pentylpyridine.
What is the SMILES notation for 2-chloro-6-pentylpyridine?
The canonical SMILES for 2-chloro-6-pentylpyridine is CCCCCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-pentylpyridine?
The InChIKey is XEDZFDCRWCQHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-chloro-6-pentylpyridine?
2-chloro-6-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-6-pentylpyridine is sourced from PubChem (CID 14570984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).