1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone

C15H14F3NO — CID 102429590

IUPAC1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
SMILESCC1=C(C(=O)C(F)(F)F)C=CCN1Cc1ccccc1
InChIInChI=1S/C15H14F3NO/c1-11-13(14(20)15(16,17)18)8-5-9-19(11)10-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3
InChIKeyVBFSRPAVZRVQGO-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.46
Rot. Bonds3

About 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone

1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone (PubChem CID 102429590) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
PubChem CID102429590
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
SMILESCC1=C(C(=O)C(F)(F)F)C=CCN1Cc1ccccc1
InChIInChI=1S/C15H14F3NO/c1-11-13(14(20)15(16,17)18)8-5-9-19(11)10-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3
InChIKeyVBFSRPAVZRVQGO-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 292247
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1-benzylpyridin-4(1H)-one
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(3E)-4-[benzyl(methyl)amino]-1,1,1-trifluorobut-3-en-2-one
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(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
CID 6183943
1-Benzyl-3-[(2,6-difluorophenyl)methyl]-2-methylpyridin-4-one
CID 44422625
3-[(2,5-Difluorophenyl)methylamino]-5-(trifluoromethyl)cyclohex-2-en-1-one
CID 155565073
3-Phenyl-8a-(trifluoromethyl)indolizin-1-one
CID 162673869
2(1H)-Pyridinone,1-(phenylmethyl)-5-(trifluoromethyl)-
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Cambridge id 5220682
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4-Benzylamino-pent-3-en-2-one
CID 5368278

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone (CID 102429590) is 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone is CC1=C(C(=O)C(F)(F)F)C=CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is VBFSRPAVZRVQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-11-13(14(20)15(16,17)18)8-5-9-19(11)10-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 281.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-methyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 102429590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).