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

C11H8ClN3O2 — CID 940016

IUPACN-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8ClN3O2/c12-7-3-1-2-4-8(7)13-11(17)9-5-6-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
InChIKeyFNSAPPHWJBMVBE-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.68
Rot. Bonds2

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

N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 940016) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID940016
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC NameN-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8ClN3O2/c12-7-3-1-2-4-8(7)13-11(17)9-5-6-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
InChIKeyFNSAPPHWJBMVBE-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84534
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CID 939768
2-(2-Chlorophenyl)-6-[(2-chlorophenyl)amino]-2,3-dihydropyridazin-3-one
CID 23647364
N-(2-chlorophenyl)-4-(2-cyclopentylidenehydrazino)-4-oxobutanamide
CID 833088
6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide
CID 939759
N-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 947023
4-(2-butanoylhydrazinyl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 3146135
1-(2-chlorophenyl)-3-methyl-1H-pyrazol-5-ol
CID 736171
N-(2-Chloro-phenyl)-3-(5-isopropenyl-2-methyl-cyclohex-2-enylidene-hydrazinocarbonyl)-propionamide
CID 5896765
(E)-N'-(2-chlorophenyl)but-2-enediamide
CID 766033
N-(3-chloro-4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4796470
(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide
CID 7965785

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 940016) is N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FNSAPPHWJBMVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-7-3-1-2-4-8(7)13-11(17)9-5-6-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16).
What are the key properties of N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 249.66 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 940016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).