1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone

C9H10FNO — CID 144835745

IUPAC1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(F)c(C)nc1C
InChIInChI=1S/C9H10FNO/c1-5-8(7(3)12)4-9(10)6(2)11-5/h4H,1-3H3
InChIKeyWTZDXDIYFPXUSF-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.04
Rot. Bonds1

About 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone

1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone (PubChem CID 144835745) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone
PubChem CID144835745
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(F)c(C)nc1C
InChIInChI=1S/C9H10FNO/c1-5-8(7(3)12)4-9(10)6(2)11-5/h4H,1-3H3
InChIKeyWTZDXDIYFPXUSF-UHFFFAOYSA-N
XLogP2.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4,5-trifluoro-2-methylphenyl)ethanone
CID 20552321
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
1-(5-fluoro-4-iodo-2-methylphenyl)ethanone
CID 171022798
3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 171016157
1-(4-chloro-2,3,5-trifluorophenyl)ethanone
CID 117112116
3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377368
5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
CID 172793833
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-(2-fluoro-4-iodo-5-methylphenyl)ethanone
CID 171022676

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone (CID 144835745) is 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone is CC(=O)c1cc(F)c(C)nc1C.
What is the InChIKey of 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone?
The InChIKey is WTZDXDIYFPXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5-8(7(3)12)4-9(10)6(2)11-5/h4H,1-3H3.
What are the key properties of 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone?
1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone has a molecular weight of 167.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 144835745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).