1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one

C14H12ClNO — CID 105081413

IUPAC1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO/c15-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-16-10-11/h1-6,9-10H,7-8H2
InChIKeyXOUPIZUOZXNQIS-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one

1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105081413) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
PubChem CID105081413
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO/c15-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-16-10-11/h1-6,9-10H,7-8H2
InChIKeyXOUPIZUOZXNQIS-UHFFFAOYSA-N
XLogP3.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
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1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
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3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
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1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105128590
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one (CID 105081413) is 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is XOUPIZUOZXNQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-16-10-11/h1-6,9-10H,7-8H2.
What are the key properties of 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one?
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 245.71 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105081413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).