(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone

C14H12ClNO — CID 105093856

IUPAC(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccncc2Cl)c1C
InChIInChI=1S/C14H12ClNO/c1-9-4-3-5-11(10(9)2)14(17)12-6-7-16-8-13(12)15/h3-8H,1-2H3
InChIKeyLSVUPHBSMOKAML-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.58
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone

(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone (PubChem CID 105093856) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
PubChem CID105093856
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccncc2Cl)c1C
InChIInChI=1S/C14H12ClNO/c1-9-4-3-5-11(10(9)2)14(17)12-6-7-16-8-13(12)15/h3-8H,1-2H3
InChIKeyLSVUPHBSMOKAML-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

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Related Compounds

3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
methyl 3-chloropyridine-4-carboxylate
CID 15324397
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone (CID 105093856) is (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2ccncc2Cl)c1C.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is LSVUPHBSMOKAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-4-3-5-11(10(9)2)14(17)12-6-7-16-8-13(12)15/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone?
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)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 (3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 105093856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).