3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C11H7ClN2O4 — CID 136660992

IUPAC3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)c(Cl)c2)n[nH]c1=O
InChIInChI=1S/C11H7ClN2O4/c12-7-3-5(1-2-9(7)15)8-4-6(11(17)18)10(16)14-13-8/h1-4,15H,(H,14,16)(H,17,18)
InChIKeyGSSPHNSKOVZRQJ-UHFFFAOYSA-N
MW266.64 g/mol
LogP1.49
Rot. Bonds2

About 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 136660992) has the molecular formula C11H7ClN2O4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID136660992
Molecular FormulaC11H7ClN2O4
Molecular Weight266.64 g/mol
Exact Mass266.01
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)c(Cl)c2)n[nH]c1=O
InChIInChI=1S/C11H7ClN2O4/c12-7-3-5(1-2-9(7)15)8-4-6(11(17)18)10(16)14-13-8/h1-4,15H,(H,14,16)(H,17,18)
InChIKeyGSSPHNSKOVZRQJ-UHFFFAOYSA-N
XLogP1.49
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 91551362
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
CID 136965927
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 136660992) is 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2ccc(O)c(Cl)c2)n[nH]c1=O.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is GSSPHNSKOVZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4/c12-7-3-5(1-2-9(7)15)8-4-6(11(17)18)10(16)14-13-8/h1-4,15H,(H,14,16)(H,17,18).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 266.64 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 136660992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).