1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

C9H10FNO — CID 58180918

IUPAC1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO/c1-6(2)9(12)8-4-3-7(10)5-11-8/h3-6H,1-2H3
InChIKeyNVVRXRQWTDFBDX-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.06
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 58180918) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
PubChem CID58180918
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO/c1-6(2)9(12)8-4-3-7(10)5-11-8/h3-6H,1-2H3
InChIKeyNVVRXRQWTDFBDX-UHFFFAOYSA-N
XLogP2.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2,4,4-trimethylpentane-1,3-dione
CID 112583432
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
3,3-diethoxy-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112583457
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
CID 112583451
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 104638404
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (CID 58180918) is 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is NVVRXRQWTDFBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6(2)9(12)8-4-3-7(10)5-11-8/h3-6H,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 167.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 58180918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).