1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one

C15H14ClNO2 — CID 105113721

IUPAC1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
SMILESCOc1cc(C(=O)CCc2cccnc2)ccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-19-15-9-12(5-6-13(15)16)14(18)7-4-11-3-2-8-17-10-11/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyBHBAJTKVPKCZCV-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one

1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105113721) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
PubChem CID105113721
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
SMILESCOc1cc(C(=O)CCc2cccnc2)ccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-19-15-9-12(5-6-13(15)16)14(18)7-4-11-3-2-8-17-10-11/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyBHBAJTKVPKCZCV-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
3-(3-aminophenyl)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116603445
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one (CID 105113721) is 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one is COc1cc(C(=O)CCc2cccnc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is BHBAJTKVPKCZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-15-9-12(5-6-13(15)16)14(18)7-4-11-3-2-8-17-10-11/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one?
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 275.74 g/mol, XLogP of 3.56, 5 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)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105113721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).