6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

C12H9ClFN3O — CID 60858368

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cl)nn1
InChIInChI=1S/C12H9ClFN3O/c13-11-6-5-10(16-17-11)12(18)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,18)
InChIKeyXRNJQKUBOLLZKP-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.20
Rot. Bonds3

About 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 60858368) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID60858368
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cl)nn1
InChIInChI=1S/C12H9ClFN3O/c13-11-6-5-10(16-17-11)12(18)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,18)
InChIKeyXRNJQKUBOLLZKP-UHFFFAOYSA-N
XLogP2.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119564
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 86025945
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
6-chloropyridazine-3-carbohydrazide
CID 10080848
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (CID 60858368) is 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is XRNJQKUBOLLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-11-6-5-10(16-17-11)12(18)15-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,18).
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 60858368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).