3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one

C15H14F2N6O2 — CID 158392263

IUPAC3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one
SMILESCc1ccc(-n2cc(F)cc(N)c2=O)nn1.Nc1cc(F)c[nH]c1=O
InChIInChI=1S/C10H9FN4O.C5H5FN2O/c1-6-2-3-9(14-13-6)15-5-7(11)4-8(12)10(15)16;6-3-1-4(7)5(9)8-2-3/h2-5H,12H2,1H3;1-2H,7H2,(H,8,9)
InChIKeyGXCKZMODZGNGRL-UHFFFAOYSA-N
MW348.31 g/mol
LogP0.75
Rot. Bonds1

About 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one

3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one (PubChem CID 158392263) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one
PubChem CID158392263
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one
SMILESCc1ccc(-n2cc(F)cc(N)c2=O)nn1.Nc1cc(F)c[nH]c1=O
InChIInChI=1S/C10H9FN4O.C5H5FN2O/c1-6-2-3-9(14-13-6)15-5-7(11)4-8(12)10(15)16;6-3-1-4(7)5(9)8-2-3/h2-5H,12H2,1H3;1-2H,7H2,(H,8,9)
InChIKeyGXCKZMODZGNGRL-UHFFFAOYSA-N
XLogP0.75
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one with MolForge

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Related Compounds

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CID 158251621
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3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
CID 82076397
5-methyl-2-(6-methylpyridazin-3-yl)-1H-pyrazol-3-one
CID 66021714
3-amino-5-propan-2-yl-1H-pyridin-2-one
CID 105429770
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one
CID 137450688
2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline
CID 63338130
5-fluoro-1-methyl-3-nitropyridin-2-one;5-fluoro-3-nitro-1H-pyridin-2-one
CID 158439943
3-amino-5-(2-fluorophenyl)-1H-pyridin-2-one
CID 82076872
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one (CID 158392263) is 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one is Cc1ccc(-n2cc(F)cc(N)c2=O)nn1.Nc1cc(F)c[nH]c1=O.
What is the InChIKey of 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one?
The InChIKey is GXCKZMODZGNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O.C5H5FN2O/c1-6-2-3-9(14-13-6)15-5-7(11)4-8(12)10(15)16;6-3-1-4(7)5(9)8-2-3/h2-5H,12H2,1H3;1-2H,7H2,(H,8,9).
What are the key properties of 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one?
3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one has a molecular weight of 348.31 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-(6-methylpyridazin-3-yl)pyridin-2-one;3-amino-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 158392263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).