1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one

C15H14ClNO2 — CID 66448751

IUPAC1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)C(C)c1ccccn1
InChIInChI=1S/C15H14ClNO2/c1-10(13-5-3-4-8-17-13)15(18)12-9-11(16)6-7-14(12)19-2/h3-10H,1-2H3
InChIKeyCRBYOWDYZLKFNA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.73
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one

1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one (PubChem CID 66448751) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
PubChem CID66448751
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)C(C)c1ccccn1
InChIInChI=1S/C15H14ClNO2/c1-10(13-5-3-4-8-17-13)15(18)12-9-11(16)6-7-14(12)19-2/h3-10H,1-2H3
InChIKeyCRBYOWDYZLKFNA-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one (CID 66448751) is 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one is COc1ccc(Cl)cc1C(=O)C(C)c1ccccn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is CRBYOWDYZLKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10(13-5-3-4-8-17-13)15(18)12-9-11(16)6-7-14(12)19-2/h3-10H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one?
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 275.74 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66448751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).