6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid

C12H10ClN3O2 — CID 60791679

IUPAC6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)7-14-11-6-5-10(12(17)18)15-16-11/h1-6H,7H2,(H,14,16)(H,17,18)
InChIKeyFDZXVLPYKVEOPP-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.44
Rot. Bonds4

About 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid

6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 60791679) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
PubChem CID60791679
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)7-14-11-6-5-10(12(17)18)15-16-11/h1-6H,7H2,(H,14,16)(H,17,18)
InChIKeyFDZXVLPYKVEOPP-UHFFFAOYSA-N
XLogP2.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119827
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041597
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid (CID 60791679) is 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is FDZXVLPYKVEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)7-14-11-6-5-10(12(17)18)15-16-11/h1-6H,7H2,(H,14,16)(H,17,18).
What are the key properties of 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid?
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).