3-acetyl-6-fluoro-1H-cinnolin-4-one

C10H7FN2O2 — CID 39733177

IUPAC3-acetyl-6-fluoro-1H-cinnolin-4-one
SMILESCC(=O)c1n[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C10H7FN2O2/c1-5(14)9-10(15)7-4-6(11)2-3-8(7)12-13-9/h2-4H,1H3,(H,12,15)
InChIKeyMBPFVDMGNFFHSZ-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.26
Rot. Bonds1

About 3-acetyl-6-fluoro-1H-cinnolin-4-one

3-acetyl-6-fluoro-1H-cinnolin-4-one (PubChem CID 39733177) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-acetyl-6-fluoro-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-acetyl-6-fluoro-1H-cinnolin-4-one
PubChem CID39733177
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-acetyl-6-fluoro-1H-cinnolin-4-one
SMILESCC(=O)c1n[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C10H7FN2O2/c1-5(14)9-10(15)7-4-6(11)2-3-8(7)12-13-9/h2-4H,1H3,(H,12,15)
InChIKeyMBPFVDMGNFFHSZ-UHFFFAOYSA-N
XLogP1.26
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-methyl-1H-indazole-3-carboxamide
CID 110469324
N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
CID 21241441
3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one
CID 82507284
1-(1H-indazol-3-yl)ethanone
CID 15684169
3-acetyl-1H-indazole-5-carbaldehyde
CID 169168282
7-fluoro-4-prop-1-en-2-yl-2H-phthalazin-1-one
CID 175783636
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
CID 110470406
3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one
CID 67965325
6-fluoro-1H-indazole-3-carbonyl chloride
CID 53404488
6,7-difluoro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 112757336
4-acetyl-6,7-difluoro-2H-phthalazin-1-one
CID 169279036
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-fluoro-1H-cinnolin-4-one?
The IUPAC name of 3-acetyl-6-fluoro-1H-cinnolin-4-one (CID 39733177) is 3-acetyl-6-fluoro-1H-cinnolin-4-one.
What is the SMILES notation for 3-acetyl-6-fluoro-1H-cinnolin-4-one?
The canonical SMILES for 3-acetyl-6-fluoro-1H-cinnolin-4-one is CC(=O)c1n[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 3-acetyl-6-fluoro-1H-cinnolin-4-one?
The InChIKey is MBPFVDMGNFFHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c1-5(14)9-10(15)7-4-6(11)2-3-8(7)12-13-9/h2-4H,1H3,(H,12,15).
What are the key properties of 3-acetyl-6-fluoro-1H-cinnolin-4-one?
3-acetyl-6-fluoro-1H-cinnolin-4-one has a molecular weight of 206.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-fluoro-1H-cinnolin-4-one is sourced from PubChem (CID 39733177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).