4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid

C11H7ClN2O3 — CID 91462779

IUPAC4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(=O)c(-c2ccccc2)c1Cl
InChIInChI=1S/C11H7ClN2O3/c12-8-7(6-4-2-1-3-5-6)10(15)14-13-9(8)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyOUNOIHUEBULYLT-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.79
Rot. Bonds2

About 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid

4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid (PubChem CID 91462779) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid
PubChem CID91462779
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(=O)c(-c2ccccc2)c1Cl
InChIInChI=1S/C11H7ClN2O3/c12-8-7(6-4-2-1-3-5-6)10(15)14-13-9(8)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyOUNOIHUEBULYLT-UHFFFAOYSA-N
XLogP1.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-4-phenyl-1H-pyrazole-3-carboxylic acid
CID 64592799
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
CID 88667827
1-chloro-5-methyl-4-phenylpyrazole-3-carboxylic acid
CID 134587124
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
CID 156651039
5-chloro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 14532036
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
5-tert-butyl-4-chloro-1H-pyrazole-3-carboxylic acid
CID 56762721
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
CID 46314978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid (CID 91462779) is 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid is O=C(O)c1n[nH]c(=O)c(-c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid?
The InChIKey is OUNOIHUEBULYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-8-7(6-4-2-1-3-5-6)10(15)14-13-9(8)11(16)17/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid?
4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid is sourced from PubChem (CID 91462779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).