(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone

C13H10ClNO2 — CID 79018159

IUPAC(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1cc(C(=O)c2ccccn2)ccc1Cl
InChIInChI=1S/C13H10ClNO2/c1-17-12-8-9(5-6-10(12)14)13(16)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyIIJBPTDXWFEVFT-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.97
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone

(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone (PubChem CID 79018159) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
PubChem CID79018159
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1cc(C(=O)c2ccccn2)ccc1Cl
InChIInChI=1S/C13H10ClNO2/c1-17-12-8-9(5-6-10(12)14)13(16)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyIIJBPTDXWFEVFT-UHFFFAOYSA-N
XLogP2.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
CID 54422123
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone (CID 79018159) is (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone is COc1cc(C(=O)c2ccccn2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone?
The InChIKey is IIJBPTDXWFEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-17-12-8-9(5-6-10(12)14)13(16)11-4-2-3-7-15-11/h2-8H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone?
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone has a molecular weight of 247.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 79018159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).