4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid

C12H10FN3O2 — CID 151578022

IUPAC4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1NCc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)7-14-10-5-6-15-16-11(10)12(17)18/h1-6H,7H2,(H,14,15)(H,17,18)
InChIKeyQFWNCHXWLVCXRJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.93
Rot. Bonds4

About 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid

4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 151578022) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid
PubChem CID151578022
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1NCc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)7-14-10-5-6-15-16-11(10)12(17)18/h1-6H,7H2,(H,14,15)(H,17,18)
InChIKeyQFWNCHXWLVCXRJ-UHFFFAOYSA-N
XLogP1.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(4-methylanilino)pyrazole-5-carboxylic acid
CID 13303042
3-[3-(4-Fluorophenyl)pyrazol-1-yl]pyridine-2-carboxylic acid
CID 56987141
4-(2,6-Difluorobenzamido)-1H-pyrazole-5-carboxylic acid
CID 59733371
Methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
CID 59769268
4-[4-[2-(Trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 67011003
2,4-Difluorobenzamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 67011057
2,5-Difluorobenzamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 67011528
4-Fluorobenzamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 67012217
2-Fluorobenzamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 67012298
3-Fluorobenzamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 67012454
4-(2,6-difluorobenzylamino)-1H-pyrazole-3-carboxylic acid
CID 67327657
4-[(4-fluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 67540082

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid (CID 151578022) is 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid is O=C(O)c1nnccc1NCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is QFWNCHXWLVCXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)7-14-10-5-6-15-16-11(10)12(17)18/h1-6H,7H2,(H,14,15)(H,17,18).
What are the key properties of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid?
4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 151578022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).