(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone

C14H12ClNO — CID 11053930

IUPAC(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(C)nc2Cl)c1
InChIInChI=1S/C14H12ClNO/c1-9-4-3-5-11(8-9)13(17)12-7-6-10(2)16-14(12)15/h3-8H,1-2H3
InChIKeyILAKXWLFXHTEQB-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.58
Rot. Bonds2

About (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone

(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone (PubChem CID 11053930) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
PubChem CID11053930
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(C)nc2Cl)c1
InChIInChI=1S/C14H12ClNO/c1-9-4-3-5-11(8-9)13(17)12-7-6-10(2)16-14(12)15/h3-8H,1-2H3
InChIKeyILAKXWLFXHTEQB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 175158311
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
2-(3-methylbenzoyl)benzoic acid
CID 2801746
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
CID 58565891
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(4-bromo-2-iodophenyl)-(3-methylphenyl)methanone
CID 15467561
[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone
CID 102134822
(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol
CID 162203025

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone?
The IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone (CID 11053930) is (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2ccc(C)nc2Cl)c1.
What is the InChIKey of (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone?
The InChIKey is ILAKXWLFXHTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-4-3-5-11(8-9)13(17)12-7-6-10(2)16-14(12)15/h3-8H,1-2H3.
What are the key properties of (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone?
(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)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 (2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 11053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).