2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine

C13H14ClN — CID 139352124

IUPAC2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine
SMILESCc1cc(C2=NC=CCC2C)ccc1Cl
InChIInChI=1S/C13H14ClN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h3,5-9H,4H2,1-2H3
InChIKeyXDLQVBLFMXMOJE-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.99
Rot. Bonds1

About 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine

2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine (PubChem CID 139352124) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine
PubChem CID139352124
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine
SMILESCc1cc(C2=NC=CCC2C)ccc1Cl
InChIInChI=1S/C13H14ClN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h3,5-9H,4H2,1-2H3
InChIKeyXDLQVBLFMXMOJE-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine (CID 139352124) is 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine is Cc1cc(C2=NC=CCC2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine?
The InChIKey is XDLQVBLFMXMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h3,5-9H,4H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine?
2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine has a molecular weight of 219.72 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 139352124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).