1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone

C14H12ClNO2 — CID 79698529

IUPAC1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
SMILESCOc1cc(C(=O)Cc2cccnc2)ccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-18-14-8-11(4-5-12(14)15)13(17)7-10-3-2-6-16-9-10/h2-6,8-9H,7H2,1H3
InChIKeyOVTUTYADXNHFMI-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone

1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone (PubChem CID 79698529) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
PubChem CID79698529
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
SMILESCOc1cc(C(=O)Cc2cccnc2)ccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-18-14-8-11(4-5-12(14)15)13(17)7-10-3-2-6-16-9-10/h2-6,8-9H,7H2,1H3
InChIKeyOVTUTYADXNHFMI-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
3-(3-aminophenyl)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116603445
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone (CID 79698529) is 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone is COc1cc(C(=O)Cc2cccnc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone?
The InChIKey is OVTUTYADXNHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-14-8-11(4-5-12(14)15)13(17)7-10-3-2-6-16-9-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone?
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone has a molecular weight of 261.71 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 79698529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).