1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

C11H7ClN2O4 — CID 54678799

IUPAC1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O
InChIInChI=1S/C11H7ClN2O4/c12-6-2-1-3-7(4-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18)
InChIKeyNBKODCRTQQFYJJ-UHFFFAOYSA-N
MW266.64 g/mol
LogP1.29
Rot. Bonds2

About 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (PubChem CID 54678799) has the molecular formula C11H7ClN2O4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
PubChem CID54678799
Molecular FormulaC11H7ClN2O4
Molecular Weight266.64 g/mol
Exact Mass266.01
IUPAC Name1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O
InChIInChI=1S/C11H7ClN2O4/c12-6-2-1-3-7(4-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18)
InChIKeyNBKODCRTQQFYJJ-UHFFFAOYSA-N
XLogP1.29
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 54687297
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
1-(2-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 82019064
1-(3-chlorophenyl)-4-hydroxy-5-iodo-6-oxopyridazine-3-carboxylic acid
CID 54687593
4-bromo-1-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 55037987
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 82419822
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (CID 54678799) is 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O.
What is the InChIKey of 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The InChIKey is NBKODCRTQQFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4/c12-6-2-1-3-7(4-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18).
What are the key properties of 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid has a molecular weight of 266.64 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 54678799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).