1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone

C14H11ClFNO — CID 114347317

IUPAC1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClFNO/c1-9-6-12(16)4-2-10(9)7-14(18)13-5-3-11(15)8-17-13/h2-6,8H,7H2,1H3
InChIKeyUSDSQUHPOOEYFC-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.61
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 114347317) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID114347317
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClFNO/c1-9-6-12(16)4-2-10(9)7-14(18)13-5-3-11(15)8-17-13/h2-6,8H,7H2,1H3
InChIKeyUSDSQUHPOOEYFC-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347309
2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone
CID 114347220
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
CID 159260235
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 114347317) is 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(F)ccc1CC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is USDSQUHPOOEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-9-6-12(16)4-2-10(9)7-14(18)13-5-3-11(15)8-17-13/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 263.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 114347317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).