N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H8ClN3O3 — CID 114040849

IUPACN-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8ClN3O3/c12-7-2-1-6(5-9(7)16)13-11(18)8-3-4-10(17)15-14-8/h1-5,16H,(H,13,18)(H,15,17)
InChIKeyBNHHFXLOSAROPB-UHFFFAOYSA-N
MW265.66 g/mol
LogP1.38
Rot. Bonds2

About N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 114040849) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID114040849
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8ClN3O3/c12-7-2-1-6(5-9(7)16)13-11(18)8-3-4-10(17)15-14-8/h1-5,16H,(H,13,18)(H,15,17)
InChIKeyBNHHFXLOSAROPB-UHFFFAOYSA-N
XLogP1.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 166187226
4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787118
N-[4-(2-bromoethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040990
N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 114040849) is N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BNHHFXLOSAROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-2-1-6(5-9(7)16)13-11(18)8-3-4-10(17)15-14-8/h1-5,16H,(H,13,18)(H,15,17).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 265.66 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 114040849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).