3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine

C15H16ClN — CID 23444949

IUPAC3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine
SMILESCc1ccc(-c2cnc(C)c(CCl)c2)cc1C
InChIInChI=1S/C15H16ClN/c1-10-4-5-13(6-11(10)2)15-7-14(8-16)12(3)17-9-15/h4-7,9H,8H2,1-3H3
InChIKeyRLJSBSKWUJAPJN-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.41
Rot. Bonds2

About 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine

3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine (PubChem CID 23444949) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine
PubChem CID23444949
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine
SMILESCc1ccc(-c2cnc(C)c(CCl)c2)cc1C
InChIInChI=1S/C15H16ClN/c1-10-4-5-13(6-11(10)2)15-7-14(8-16)12(3)17-9-15/h4-7,9H,8H2,1-3H3
InChIKeyRLJSBSKWUJAPJN-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine?
The IUPAC name of 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine (CID 23444949) is 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine?
The canonical SMILES for 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine is Cc1ccc(-c2cnc(C)c(CCl)c2)cc1C.
What is the InChIKey of 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine?
The InChIKey is RLJSBSKWUJAPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-10-4-5-13(6-11(10)2)15-7-14(8-16)12(3)17-9-15/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine?
3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine has a molecular weight of 245.75 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(3,4-dimethylphenyl)-2-methylpyridine is sourced from PubChem (CID 23444949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).