(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone

C14H12ClNO — CID 115604683

IUPAC(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C14H12ClNO/c1-9-3-8-13(10(2)16-9)14(17)11-4-6-12(15)7-5-11/h3-8H,1-2H3
InChIKeyLCLHHNHOUVOKOW-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.58
Rot. Bonds2

About (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone

(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 115604683) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID115604683
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C14H12ClNO/c1-9-3-8-13(10(2)16-9)14(17)11-4-6-12(15)7-5-11/h3-8H,1-2H3
InChIKeyLCLHHNHOUVOKOW-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115604695
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
3-(4-chlorobenzoyl)-5,6-dimethylpyridine-2-carboxylic acid
CID 168886977
(2,4-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 113229974
2,6-dimethylpyridine-3-carboxamide
CID 2824850
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone
CID 114995430
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127258
1-(2,6-dimethyl-3-pyridinyl)prop-2-yn-1-one
CID 105108206
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone (CID 115604683) is (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is LCLHHNHOUVOKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-3-8-13(10(2)16-9)14(17)11-4-6-12(15)7-5-11/h3-8H,1-2H3.
What are the key properties of (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 245.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 115604683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).