N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

C13H12FN3O2 — CID 136905894

IUPACN-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(F)c2)c(C)nn1
InChIInChI=1S/C13H12FN3O2/c1-7-5-10(8(2)17-16-7)13(19)15-9-3-4-12(18)11(14)6-9/h3-6,18H,1-2H3,(H,15,19)
InChIKeyPCNJEYKWFSKCSS-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.19
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 136905894) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID136905894
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(F)c2)c(C)nn1
InChIInChI=1S/C13H12FN3O2/c1-7-5-10(8(2)17-16-7)13(19)15-9-3-4-12(18)11(14)6-9/h3-6,18H,1-2H3,(H,15,19)
InChIKeyPCNJEYKWFSKCSS-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.19
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

N-(3-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64780695
N-(3-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 64781058
N-(3-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 64781448
N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 64781836
N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64782621
N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64786290
N-(2-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 64787855
N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 64793499
N-(2-fluoro-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 64795165
N-(3-fluoro-4-hydroxyphenyl)-2-methylpyridine-3-carboxamide
CID 80078593
N-(2-fluoro-4-hydroxyphenyl)-2-methylpyridine-3-carboxamide
CID 80079061
N-(2-fluoro-4-hydroxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86787155

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 136905894) is N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(O)c(F)c2)c(C)nn1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is PCNJEYKWFSKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-5-10(8(2)17-16-7)13(19)15-9-3-4-12(18)11(14)6-9/h3-6,18H,1-2H3,(H,15,19).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.19, 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)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 136905894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).