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

C10H6ClN3O3 — CID 91551362

IUPAC3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2Cl)n[nH]c1=O
InChIInChI=1S/C10H6ClN3O3/c11-7-4-12-2-1-5(7)8-3-6(10(16)17)9(15)14-13-8/h1-4H,(H,14,15)(H,16,17)
InChIKeyRPYALTJKJDKHGK-UHFFFAOYSA-N
MW251.63 g/mol
LogP1.18
Rot. Bonds2

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

3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 91551362) has the molecular formula C10H6ClN3O3 and a molecular weight of 251.63 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID91551362
Molecular FormulaC10H6ClN3O3
Molecular Weight251.63 g/mol
Exact Mass251.01
IUPAC Name3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2Cl)n[nH]c1=O
InChIInChI=1S/C10H6ClN3O3/c11-7-4-12-2-1-5(7)8-3-6(10(16)17)9(15)14-13-8/h1-4H,(H,14,15)(H,16,17)
InChIKeyRPYALTJKJDKHGK-UHFFFAOYSA-N
XLogP1.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine
CID 69309763
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582695
3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one
CID 58148183
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
CID 86710327
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 91551362) is 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2ccncc2Cl)n[nH]c1=O.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is RPYALTJKJDKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3/c11-7-4-12-2-1-5(7)8-3-6(10(16)17)9(15)14-13-8/h1-4H,(H,14,15)(H,16,17).
What are the key properties of 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 251.63 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 91551362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).