(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone

C14H12ClNO — CID 114971606

IUPAC(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C14H12ClNO/c1-9-3-5-11(7-13(9)15)14(17)12-6-4-10(2)16-8-12/h3-8H,1-2H3
InChIKeyCXNNYXXFPHOAJU-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.58
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone

(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 114971606) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID114971606
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C14H12ClNO/c1-9-3-5-11(7-13(9)15)14(17)12-6-4-10(2)16-8-12/h3-8H,1-2H3
InChIKeyCXNNYXXFPHOAJU-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-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 107559897

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone (CID 114971606) is (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2ccc(C)c(Cl)c2)cn1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is CXNNYXXFPHOAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-3-5-11(7-13(9)15)14(17)12-6-4-10(2)16-8-12/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
(3-chloro-4-methylphenyl)-(6-methyl-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 (3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114971606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).