1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one

C20H16ClFN2O — CID 58447770

IUPAC1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(-c3cccc(F)c3)cn2)cnc1Cl
InChIInChI=1S/C20H16ClFN2O/c1-13-7-14(11-24-20(13)21)8-19(25)10-18-6-5-16(12-23-18)15-3-2-4-17(22)9-15/h2-7,9,11-12H,8,10H2,1H3
InChIKeyCECQLKXWLGNQPQ-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.60
Rot. Bonds5

About 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one

1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one (PubChem CID 58447770) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one
PubChem CID58447770
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(-c3cccc(F)c3)cn2)cnc1Cl
InChIInChI=1S/C20H16ClFN2O/c1-13-7-14(11-24-20(13)21)8-19(25)10-18-6-5-16(12-23-18)15-3-2-4-17(22)9-15/h2-7,9,11-12H,8,10H2,1H3
InChIKeyCECQLKXWLGNQPQ-UHFFFAOYSA-N
XLogP4.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4'-fluorobutyrophenone)-4-(4-chlorophenyl)pyridinium
CID 9975463
(2Z,6E)-4-tert-butyl-2,6-bis(pyridin-2-ylmethylene)cyclohexanone
CID 2059132
4-(6-Chloropyridin-3-yl)-3-[(6-chloropyridin-3-yl)methyl]butan-2-one
CID 1474695
1-[4-(13-Chloro-6-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 10575431
1-[4-(13-Chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 10789410
3-(2-Chloro-3-pyridyl)-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one
CID 22319259
3-chloro-5-[6-[4-(difluoromethyl)phenyl]pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 44523869
3-chloro-5-(6-heptyl-3-pyridinyl)-2,6-dimethyl-1H-pyridin-4-one
CID 44529243
3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529366
3-chloro-2,6-dimethyl-5-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529498
3-chloro-2,6-dimethyl-5-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529546
3-chloro-5-[6-(3-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529836

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one?
The IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one (CID 58447770) is 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one is Cc1cc(CC(=O)Cc2ccc(-c3cccc(F)c3)cn2)cnc1Cl.
What is the InChIKey of 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one?
The InChIKey is CECQLKXWLGNQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c1-13-7-14(11-24-20(13)21)8-19(25)10-18-6-5-16(12-23-18)15-3-2-4-17(22)9-15/h2-7,9,11-12H,8,10H2,1H3.
What are the key properties of 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one?
1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one has a molecular weight of 354.81 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-3-pyridinyl)-3-[5-(3-fluorophenyl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 58447770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).