N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide

C11H8FN3O2 — CID 136905893

IUPACN-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccnnc1
InChIInChI=1S/C11H8FN3O2/c12-9-5-8(1-2-10(9)16)15-11(17)7-3-4-13-14-6-7/h1-6,16H,(H,15,17)
InChIKeyOUXAJMJGAAJJTN-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.57
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide

N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide (PubChem CID 136905893) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
PubChem CID136905893
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccnnc1
InChIInChI=1S/C11H8FN3O2/c12-9-5-8(1-2-10(9)16)15-11(17)7-3-4-13-14-6-7/h1-6,16H,(H,15,17)
InChIKeyOUXAJMJGAAJJTN-UHFFFAOYSA-N
XLogP1.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Pyridine-3-carboxamide, N-(4-hydroxyphenyl)-
CID 571860
N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 28742932
N-(3-chloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136378701
N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide
CID 137289619
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 154645609
N-(3-fluoro-4-hydroxyphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171509424
N-(3-fluoro-4-hydroxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 176044809
N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 176913247
2-fluoro-N-(4-hydroxyphenyl)pyridine-4-carboxamide
CID 61294384
6-fluoro-N-(4-hydroxyphenyl)pyridine-3-carboxamide
CID 63979712
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 64780694

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide (CID 136905893) is N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1ccnnc1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide?
The InChIKey is OUXAJMJGAAJJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-9-5-8(1-2-10(9)16)15-11(17)7-3-4-13-14-6-7/h1-6,16H,(H,15,17).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide has a molecular weight of 233.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 136905893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).