1-(3-chloro-4-pyridinyl)-2-phenylethanone

C13H10ClNO — CID 105077956

IUPAC1-(3-chloro-4-pyridinyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccncc1Cl
InChIInChI=1S/C13H10ClNO/c14-12-9-15-7-6-11(12)13(16)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyLIOITIXSRHFOTC-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-phenylethanone

1-(3-chloro-4-pyridinyl)-2-phenylethanone (PubChem CID 105077956) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-phenylethanone
PubChem CID105077956
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name1-(3-chloro-4-pyridinyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccncc1Cl
InChIInChI=1S/C13H10ClNO/c14-12-9-15-7-6-11(12)13(16)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyLIOITIXSRHFOTC-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-phenylethanone?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-phenylethanone (CID 105077956) is 1-(3-chloro-4-pyridinyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-phenylethanone?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-phenylethanone is O=C(Cc1ccccc1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-phenylethanone?
The InChIKey is LIOITIXSRHFOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-12-9-15-7-6-11(12)13(16)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-phenylethanone?
1-(3-chloro-4-pyridinyl)-2-phenylethanone has a molecular weight of 231.68 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-phenylethanone is sourced from PubChem (CID 105077956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).