N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide

C7H7F2N3O2 — CID 103714909

IUPACN-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C7H7F2N3O2/c8-5(9)3-10-7(14)4-1-2-6(13)12-11-4/h1-2,5H,3H2,(H,10,14)(H,12,13)
InChIKeyHFLWCXCHSRXZBO-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.24
Rot. Bonds3

About N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103714909) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103714909
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC NameN-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C7H7F2N3O2/c8-5(9)3-10-7(14)4-1-2-6(13)12-11-4/h1-2,5H,3H2,(H,10,14)(H,12,13)
InChIKeyHFLWCXCHSRXZBO-UHFFFAOYSA-N
XLogP-0.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridazine-3-carboxamide
CID 47038195
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
1-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 55712911
6-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 62922503

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103714909) is N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HFLWCXCHSRXZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-5(9)3-10-7(14)4-1-2-6(13)12-11-4/h1-2,5H,3H2,(H,10,14)(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 203.15 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103714909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).