6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one

C11H10FN3O2 — CID 82421930

IUPAC6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one
SMILESNCc1nn(-c2cccc(F)c2)c(=O)cc1O
InChIInChI=1S/C11H10FN3O2/c12-7-2-1-3-8(4-7)15-11(17)5-10(16)9(6-13)14-15/h1-5,16H,6,13H2
InChIKeyNTLSPCWLSCSHJX-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.54
Rot. Bonds2

About 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one

6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one (PubChem CID 82421930) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one
PubChem CID82421930
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one
SMILESNCc1nn(-c2cccc(F)c2)c(=O)cc1O
InChIInChI=1S/C11H10FN3O2/c12-7-2-1-3-8(4-7)15-11(17)5-10(16)9(6-13)14-15/h1-5,16H,6,13H2
InChIKeyNTLSPCWLSCSHJX-UHFFFAOYSA-N
XLogP0.54
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
CID 83864514
6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420094
6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
CID 82421725
2-[1-(3,4-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetonitrile
CID 82420912
[1-(3-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94937660
[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine
CID 83903258
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 54687297
2-[1-(2,5-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82421564
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
5-hydroxy-6-(sulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 82421448
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 54678799

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one (CID 82421930) is 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one is NCc1nn(-c2cccc(F)c2)c(=O)cc1O.
What is the InChIKey of 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one?
The InChIKey is NTLSPCWLSCSHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-7-2-1-3-8(4-7)15-11(17)5-10(16)9(6-13)14-15/h1-5,16H,6,13H2.
What are the key properties of 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one?
6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one has a molecular weight of 235.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82421930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).