2-(2-chloro-3-methylhexyl)-5-methylpyridine

C13H20ClN — CID 66461421

IUPAC2-(2-chloro-3-methylhexyl)-5-methylpyridine
SMILESCCCC(C)C(Cl)Cc1ccc(C)cn1
InChIInChI=1S/C13H20ClN/c1-4-5-11(3)13(14)8-12-7-6-10(2)9-15-12/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyVCDRBGHJHWXFLX-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-chloro-3-methylhexyl)-5-methylpyridine

2-(2-chloro-3-methylhexyl)-5-methylpyridine (PubChem CID 66461421) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-(2-chloro-3-methylhexyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-3-methylhexyl)-5-methylpyridine
PubChem CID66461421
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-(2-chloro-3-methylhexyl)-5-methylpyridine
SMILESCCCC(C)C(Cl)Cc1ccc(C)cn1
InChIInChI=1S/C13H20ClN/c1-4-5-11(3)13(14)8-12-7-6-10(2)9-15-12/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyVCDRBGHJHWXFLX-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-3-methylsulfonylbutyl)-5-methylpyridine
CID 104522954
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
2-(2-bromohexyl)-5-methylpyridine
CID 66453150
5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
CID 172742279
5-methyl-2-pentan-2-ylpyridine
CID 121401028
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914
N-ethyl-3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-amine
CID 66447905
2-(2-bromo-4-methylhexyl)-5-methylpyridine
CID 114877611
(5-methyl-2-pyridinyl)methanolate
CID 153447855
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-5-methylpyridine
CID 66461420

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylhexyl)-5-methylpyridine?
The IUPAC name of 2-(2-chloro-3-methylhexyl)-5-methylpyridine (CID 66461421) is 2-(2-chloro-3-methylhexyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-chloro-3-methylhexyl)-5-methylpyridine?
The canonical SMILES for 2-(2-chloro-3-methylhexyl)-5-methylpyridine is CCCC(C)C(Cl)Cc1ccc(C)cn1.
What is the InChIKey of 2-(2-chloro-3-methylhexyl)-5-methylpyridine?
The InChIKey is VCDRBGHJHWXFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-5-11(3)13(14)8-12-7-6-10(2)9-15-12/h6-7,9,11,13H,4-5,8H2,1-3H3.
What are the key properties of 2-(2-chloro-3-methylhexyl)-5-methylpyridine?
2-(2-chloro-3-methylhexyl)-5-methylpyridine has a molecular weight of 225.76 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylhexyl)-5-methylpyridine is sourced from PubChem (CID 66461421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).