2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone

C8H7F2NO — CID 112574268

IUPAC2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)C(F)F)cn1
InChIInChI=1S/C8H7F2NO/c1-5-2-3-6(4-11-5)7(12)8(9)10/h2-4,8H,1H3
InChIKeyGGOLDTPMTDXLEP-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.84
Rot. Bonds2

About 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone

2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 112574268) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID112574268
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)C(F)F)cn1
InChIInChI=1S/C8H7F2NO/c1-5-2-3-6(4-11-5)7(12)8(9)10/h2-4,8H,1H3
InChIKeyGGOLDTPMTDXLEP-UHFFFAOYSA-N
XLogP1.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
2-cyclopropyl-2-hydroxy-1-(6-methyl-3-pyridinyl)ethanone
CID 103455679
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116575014
2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
CID 131857858
2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116597825
2-cyclopropyl-2-methoxy-1-(6-methyl-3-pyridinyl)ethanone
CID 116709132
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
4-(6-methyl-3-pyridinyl)-4-oxo-3-phenylbutanenitrile
CID 104822920
[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone (CID 112574268) is 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)C(F)F)cn1.
What is the InChIKey of 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is GGOLDTPMTDXLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c1-5-2-3-6(4-11-5)7(12)8(9)10/h2-4,8H,1H3.
What are the key properties of 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone?
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 171.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 112574268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).