2-chloro-3-methyl-6-propylpyridine

C9H12ClN — CID 14321055

IUPAC2-chloro-3-methyl-6-propylpyridine
SMILESCCCc1ccc(C)c(Cl)n1
InChIInChI=1S/C9H12ClN/c1-3-4-8-6-5-7(2)9(10)11-8/h5-6H,3-4H2,1-2H3
InChIKeyVCHZSKGKBAOBRJ-UHFFFAOYSA-N
MW169.66 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-3-methyl-6-propylpyridine

2-chloro-3-methyl-6-propylpyridine (PubChem CID 14321055) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-propylpyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-6-propylpyridine
PubChem CID14321055
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2-chloro-3-methyl-6-propylpyridine
SMILESCCCc1ccc(C)c(Cl)n1
InChIInChI=1S/C9H12ClN/c1-3-4-8-6-5-7(2)9(10)11-8/h5-6H,3-4H2,1-2H3
InChIKeyVCHZSKGKBAOBRJ-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-3-methylpyridine
CID 817088
2-chloro-6-(6-chloro-5-methyl-2-pyridinyl)-3-methylpyridine
CID 25228536
2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine
CID 59845623
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83880440
2,6-dichloro-3-methylpyridine;hydrochloride
CID 45382145
2-methyl-6-propyl-3-(trifluoromethyl)pyridine
CID 145086517
1-chloro-3-propylisoquinoline
CID 119093749
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
CID 105407965
3-ethyl-2-fluoro-6-propylpyridine
CID 121444063
6-chloro-N,N,5-trimethylpyridin-2-amine
CID 86670205
4-methyl-2,6-dipropylpyridine
CID 13400495
2-chloro-6-ethenyl-3-methylpyridine
CID 74888813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6-propylpyridine?
The IUPAC name of 2-chloro-3-methyl-6-propylpyridine (CID 14321055) is 2-chloro-3-methyl-6-propylpyridine.
What is the SMILES notation for 2-chloro-3-methyl-6-propylpyridine?
The canonical SMILES for 2-chloro-3-methyl-6-propylpyridine is CCCc1ccc(C)c(Cl)n1.
What is the InChIKey of 2-chloro-3-methyl-6-propylpyridine?
The InChIKey is VCHZSKGKBAOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-3-4-8-6-5-7(2)9(10)11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3-methyl-6-propylpyridine?
2-chloro-3-methyl-6-propylpyridine has a molecular weight of 169.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-propylpyridine is sourced from PubChem (CID 14321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).