2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one

C10H10FN3O — CID 58621230

IUPAC2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2cccc(CF)n2)[nH]1
InChIInChI=1S/C10H10FN3O/c1-7-5-10(15)14(13-7)9-4-2-3-8(6-11)12-9/h2-5,13H,6H2,1H3
InChIKeyODMTVDUALLUSQF-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.34
Rot. Bonds2

About 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one

2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 58621230) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
PubChem CID58621230
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2cccc(CF)n2)[nH]1
InChIInChI=1S/C10H10FN3O/c1-7-5-10(15)14(13-7)9-4-2-3-8(6-11)12-9/h2-5,13H,6H2,1H3
InChIKeyODMTVDUALLUSQF-UHFFFAOYSA-N
XLogP1.34
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 58621146
2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 58621506
5-methyl-2-(6-methylpyridazin-3-yl)-1H-pyrazol-3-one
CID 66021714
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one
CID 58704669
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]-5-methyl-1H-pyrazol-3-one
CID 59407016
5-methyl-2-thiophen-2-yl-1H-pyrazol-3-one
CID 12517261
2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 2801248
[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate
CID 175423399
4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
CID 59407031
2-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-one
CID 66020503

Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one (CID 58621230) is 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(-c2cccc(CF)n2)[nH]1.
What is the InChIKey of 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is ODMTVDUALLUSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-7-5-10(15)14(13-7)9-4-2-3-8(6-11)12-9/h2-5,13H,6H2,1H3.
What are the key properties of 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 207.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 58621230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).