N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide

C12H9BrFN3O — CID 113264962

IUPACN-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccnnc1
InChIInChI=1S/C12H9BrFN3O/c13-10-1-2-11(14)9(5-10)6-15-12(18)8-3-4-16-17-7-8/h1-5,7H,6H2,(H,15,18)
InChIKeyHKGYFSYJLJYHIP-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.31
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide (PubChem CID 113264962) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
PubChem CID113264962
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccnnc1
InChIInChI=1S/C12H9BrFN3O/c13-10-1-2-11(14)9(5-10)6-15-12(18)8-3-4-16-17-7-8/h1-5,7H,6H2,(H,15,18)
InChIKeyHKGYFSYJLJYHIP-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-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

N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
CID 115115700
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide (CID 113264962) is N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide is O=C(NCc1cc(Br)ccc1F)c1ccnnc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide?
The InChIKey is HKGYFSYJLJYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-10-1-2-11(14)9(5-10)6-15-12(18)8-3-4-16-17-7-8/h1-5,7H,6H2,(H,15,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide has a molecular weight of 310.13 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 113264962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).