6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide

C12H10BrFN4O — CID 79098714

IUPAC6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2cc(Br)ccc2F)nn1
InChIInChI=1S/C12H10BrFN4O/c13-8-1-2-9(14)7(5-8)6-16-11-4-3-10(12(15)19)17-18-11/h1-5H,6H2,(H2,15,19)(H,16,18)
InChIKeyUJDAYGDFXAHRQA-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.09
Rot. Bonds4

About 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide

6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 79098714) has the molecular formula C12H10BrFN4O and a molecular weight of 325.14 g/mol. Its IUPAC name is 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
PubChem CID79098714
Molecular FormulaC12H10BrFN4O
Molecular Weight325.14 g/mol
Exact Mass324.00
IUPAC Name6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2cc(Br)ccc2F)nn1
InChIInChI=1S/C12H10BrFN4O/c13-8-1-2-9(14)7(5-8)6-16-11-4-3-10(12(15)19)17-18-11/h1-5H,6H2,(H2,15,19)(H,16,18)
InChIKeyUJDAYGDFXAHRQA-UHFFFAOYSA-N
XLogP2.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[(5-bromo-2-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 79827105
6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956191
3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
CID 61466855
N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107874557
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103507750
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298
6-[(5-bromo-2-fluorophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471399
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide (CID 79098714) is 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NCc2cc(Br)ccc2F)nn1.
What is the InChIKey of 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is UJDAYGDFXAHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O/c13-8-1-2-9(14)7(5-8)6-16-11-4-3-10(12(15)19)17-18-11/h1-5H,6H2,(H2,15,19)(H,16,18).
What are the key properties of 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide?
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 79098714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).