4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine

C12H14ClN — CID 3014741

IUPAC4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClN/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8H2,1H3
InChIKeyFKLWAGSVAKNRAS-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.06
Rot. Bonds1

About 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 3014741) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID3014741
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClN/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8H2,1H3
InChIKeyFKLWAGSVAKNRAS-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 3014741) is 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is FKLWAGSVAKNRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 207.70 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).