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

C10H7N3O2S — CID 79554069

IUPAC4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2cccnn2)ccn1
InChIInChI=1S/C10H7N3O2S/c14-10(15)8-6-7(3-5-11-8)16-9-2-1-4-12-13-9/h1-6H,(H,14,15)
InChIKeyOMRHHTXXUWANJE-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.72
Rot. Bonds3

About 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid

4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid (PubChem CID 79554069) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
PubChem CID79554069
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2cccnn2)ccn1
InChIInChI=1S/C10H7N3O2S/c14-10(15)8-6-7(3-5-11-8)16-9-2-1-4-12-13-9/h1-6H,(H,14,15)
InChIKeyOMRHHTXXUWANJE-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

4-[(4-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554477
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103
4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
CID 79554237
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 62253442
4-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]pyridine-2-carboxylic acid
CID 114574132
2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid
CID 64927782
4-(trifluoromethylsulfanyl)pyridine-2-carboxylic acid
CID 79554205
4-(5-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
CID 61382658
4-(4-tert-butylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43330711
4-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 81294635
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174

Frequently Asked Questions

What is the IUPAC name of 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid (CID 79554069) is 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid is O=C(O)c1cc(Sc2cccnn2)ccn1.
What is the InChIKey of 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid?
The InChIKey is OMRHHTXXUWANJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-10(15)8-6-7(3-5-11-8)16-9-2-1-4-12-13-9/h1-6H,(H,14,15).
What are the key properties of 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid?
4-pyridazin-3-ylsulfanylpyridine-2-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 4-pyridazin-3-ylsulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).