3-(3-chloropropyl)-2-methylpyridine

C9H12ClN — CID 86128501

IUPAC3-(3-chloropropyl)-2-methylpyridine
SMILESCc1ncccc1CCCCl
InChIInChI=1S/C9H12ClN/c1-8-9(4-2-6-10)5-3-7-11-8/h3,5,7H,2,4,6H2,1H3
InChIKeyPFBQSYYSVVXFQO-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.56
Rot. Bonds3

About 3-(3-chloropropyl)-2-methylpyridine

3-(3-chloropropyl)-2-methylpyridine (PubChem CID 86128501) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 3-(3-chloropropyl)-2-methylpyridine.

Molecular Properties

Compound Name3-(3-chloropropyl)-2-methylpyridine
PubChem CID86128501
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name3-(3-chloropropyl)-2-methylpyridine
SMILESCc1ncccc1CCCCl
InChIInChI=1S/C9H12ClN/c1-8-9(4-2-6-10)5-3-7-11-8/h3,5,7H,2,4,6H2,1H3
InChIKeyPFBQSYYSVVXFQO-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.56
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

3-heptyl-2-methylpyridine
CID 134369519
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-methyl-3-propylpyridine
CID 18662893
ethane;3-ethyl-2-methylpyridine
CID 143071594
ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
CID 165410147
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
ethane;2-methyl-3-propylpyridine;1-propoxybutane
CID 153393005
3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine
CID 177289121
[3-(3-chloropropyl)-2-methylphenyl]methanol
CID 134621907
3,4-dimethyl-2-[(2-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazol-2-ium
CID 148541074

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-2-methylpyridine?
The IUPAC name of 3-(3-chloropropyl)-2-methylpyridine (CID 86128501) is 3-(3-chloropropyl)-2-methylpyridine.
What is the SMILES notation for 3-(3-chloropropyl)-2-methylpyridine?
The canonical SMILES for 3-(3-chloropropyl)-2-methylpyridine is Cc1ncccc1CCCCl.
What is the InChIKey of 3-(3-chloropropyl)-2-methylpyridine?
The InChIKey is PFBQSYYSVVXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-8-9(4-2-6-10)5-3-7-11-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 3-(3-chloropropyl)-2-methylpyridine?
3-(3-chloropropyl)-2-methylpyridine has a molecular weight of 169.66 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-2-methylpyridine is sourced from PubChem (CID 86128501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).