2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone

C14H12FNO — CID 63840220

IUPAC2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO/c1-10-6-7-16-13(8-10)14(17)9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyJTBNRVFEHFVAOD-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone

2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 63840220) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
PubChem CID63840220
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO/c1-10-6-7-16-13(8-10)14(17)9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyJTBNRVFEHFVAOD-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63840069
1-(4-methyl-2-pyridinyl)but-3-en-1-one
CID 63839400
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
1-(4-methyl-2-pyridinyl)hexan-1-one
CID 63841215

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone (CID 63840220) is 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone is Cc1ccnc(C(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is JTBNRVFEHFVAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-10-6-7-16-13(8-10)14(17)9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone?
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone has a molecular weight of 229.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 63840220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).