6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid

C12H10FN3O2 — CID 62812713

IUPAC6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(C(=O)O)nn2)ccc1F
InChIInChI=1S/C12H10FN3O2/c1-7-6-8(2-3-9(7)13)14-11-5-4-10(12(17)18)15-16-11/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeySORXWKKTMHAYPY-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.37
Rot. Bonds3

About 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid

6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid (PubChem CID 62812713) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid
PubChem CID62812713
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid
SMILESCc1cc(Nc2ccc(C(=O)O)nn2)ccc1F
InChIInChI=1S/C12H10FN3O2/c1-7-6-8(2-3-9(7)13)14-11-5-4-10(12(17)18)15-16-11/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeySORXWKKTMHAYPY-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
CID 107575452
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
6-(1-benzothiophen-5-ylamino)pyridazine-3-carboxylic acid
CID 65450510
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid (CID 62812713) is 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid is Cc1cc(Nc2ccc(C(=O)O)nn2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid?
The InChIKey is SORXWKKTMHAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-7-6-8(2-3-9(7)13)14-11-5-4-10(12(17)18)15-16-11/h2-6H,1H3,(H,14,16)(H,17,18).
What are the key properties of 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid?
6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 62812713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).