1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone

C15H14ClNO2 — CID 82540718

IUPAC1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
SMILESCOc1cc(Cl)c(C)cc1-c1cncc(C(C)=O)c1
InChIInChI=1S/C15H14ClNO2/c1-9-4-13(15(19-3)6-14(9)16)12-5-11(10(2)18)7-17-8-12/h4-8H,1-3H3
InChIKeyBQMVVDOUKPNEMZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.92
Rot. Bonds3

About 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone

1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone (PubChem CID 82540718) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
PubChem CID82540718
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
SMILESCOc1cc(Cl)c(C)cc1-c1cncc(C(C)=O)c1
InChIInChI=1S/C15H14ClNO2/c1-9-4-13(15(19-3)6-14(9)16)12-5-11(10(2)18)7-17-8-12/h4-8H,1-3H3
InChIKeyBQMVVDOUKPNEMZ-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
CID 82540716
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109239484
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 110447743
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone (CID 82540718) is 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone is COc1cc(Cl)c(C)cc1-c1cncc(C(C)=O)c1.
What is the InChIKey of 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone?
The InChIKey is BQMVVDOUKPNEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-4-13(15(19-3)6-14(9)16)12-5-11(10(2)18)7-17-8-12/h4-8H,1-3H3.
What are the key properties of 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone?
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone has a molecular weight of 275.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 82540718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).