N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide

C12H9F2N3O — CID 110705395

IUPACN-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2c(F)cccc2F)nn1
InChIInChI=1S/C12H9F2N3O/c1-7-5-6-10(17-16-7)12(18)15-11-8(13)3-2-4-9(11)14/h2-6H,1H3,(H,15,18)
InChIKeyDKVHMRYXEQIBDY-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.32
Rot. Bonds2

About N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide

N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide (PubChem CID 110705395) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide
PubChem CID110705395
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC NameN-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2c(F)cccc2F)nn1
InChIInChI=1S/C12H9F2N3O/c1-7-5-6-10(17-16-7)12(18)15-11-8(13)3-2-4-9(11)14/h2-6H,1H3,(H,15,18)
InChIKeyDKVHMRYXEQIBDY-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127733
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
N-(2,6-difluorophenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127605
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392971
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide (CID 110705395) is N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide is Cc1ccc(C(=O)Nc2c(F)cccc2F)nn1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide?
The InChIKey is DKVHMRYXEQIBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c1-7-5-6-10(17-16-7)12(18)15-11-8(13)3-2-4-9(11)14/h2-6H,1H3,(H,15,18).
What are the key properties of N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide?
N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide has a molecular weight of 249.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 110705395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).