4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C12H10FN3O3 — CID 171777951

IUPAC4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc(=O)[nH]nc2C(N)=O)c(F)c1
InChIInChI=1S/C12H10FN3O3/c1-19-6-2-3-7(9(13)4-6)8-5-10(17)15-16-11(8)12(14)18/h2-5H,1H3,(H2,14,18)(H,15,17)
InChIKeyKNKVKFNLYHECPA-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.68
Rot. Bonds3

About 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 171777951) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID171777951
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc(=O)[nH]nc2C(N)=O)c(F)c1
InChIInChI=1S/C12H10FN3O3/c1-19-6-2-3-7(9(13)4-6)8-5-10(17)15-16-11(8)12(14)18/h2-5H,1H3,(H2,14,18)(H,15,17)
InChIKeyKNKVKFNLYHECPA-UHFFFAOYSA-N
XLogP0.68
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 102885450
methyl (2S)-2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91639933
methyl 2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91821632
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 18369367
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267785
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 171777951) is 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(-c2cc(=O)[nH]nc2C(N)=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KNKVKFNLYHECPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-19-6-2-3-7(9(13)4-6)8-5-10(17)15-16-11(8)12(14)18/h2-5H,1H3,(H2,14,18)(H,15,17).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 263.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 171777951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).