2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid

C10H7N3O2S — CID 62482824

IUPAC2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1cccnn1
InChIInChI=1S/C10H7N3O2S/c14-10(15)7-3-1-5-11-9(7)16-8-4-2-6-12-13-8/h1-6H,(H,14,15)
InChIKeyRVYJRQPBMYXHFU-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.72
Rot. Bonds3

About 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid

2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid (PubChem CID 62482824) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
PubChem CID62482824
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1cccnn1
InChIInChI=1S/C10H7N3O2S/c14-10(15)7-3-1-5-11-9(7)16-8-4-2-6-12-13-8/h1-6H,(H,14,15)
InChIKeyRVYJRQPBMYXHFU-UHFFFAOYSA-N
XLogP1.72
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64588756
2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114570693
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
CID 79554069
2-(trisulfanyl)pyridine-3-carboxylic acid
CID 129081855
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-[(4-methyl-5-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 79174033
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
CID 80700083
2-(4-ethylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid
CID 43453329

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid (CID 62482824) is 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid is O=C(O)c1cccnc1Sc1cccnn1.
What is the InChIKey of 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid?
The InChIKey is RVYJRQPBMYXHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-10(15)7-3-1-5-11-9(7)16-8-4-2-6-12-13-8/h1-6H,(H,14,15).
What are the key properties of 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid?
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 62482824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).