2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

C17H17F2NO — CID 161484729

IUPAC2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)c(F)c(C(C)C)c2)nc1
InChIInChI=1S/C17H17F2NO/c1-10(2)13-6-12(7-14(18)17(13)19)8-16(21)15-5-4-11(3)9-20-15/h4-7,9-10H,8H2,1-3H3
InChIKeyWXFVKAWEXPTRLO-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.22
Rot. Bonds4

About 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (PubChem CID 161484729) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
PubChem CID161484729
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(F)c(F)c(C(C)C)c2)nc1
InChIInChI=1S/C17H17F2NO/c1-10(2)13-6-12(7-14(18)17(13)19)8-16(21)15-5-4-11(3)9-20-15/h4-7,9-10H,8H2,1-3H3
InChIKeyWXFVKAWEXPTRLO-UHFFFAOYSA-N
XLogP4.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
CID 159260234
1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 160512764
2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
CID 155973448
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
CID 130917901
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
CID 159260235
2-[3-[(4S)-2-amino-4-methyl-5,7-dihydrofuro[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-1-(5-methyl-2-pyridinyl)ethanone
CID 161385832
1-(5-methyl-2-pyridinyl)-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 176889416
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448501
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
methyl N'-[1-[2-fluoro-5-[2-(5-methoxypyrazin-2-yl)-2-oxoethyl]phenyl]ethyl]carbamimidate
CID 58056040

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (CID 161484729) is 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(C(=O)Cc2cc(F)c(F)c(C(C)C)c2)nc1.
What is the InChIKey of 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is WXFVKAWEXPTRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10(2)13-6-12(7-14(18)17(13)19)8-16(21)15-5-4-11(3)9-20-15/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 289.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 161484729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).