5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid

C10H9N3O2S — CID 115491227

IUPAC5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
SMILESCn1cc(Sc2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C10H9N3O2S/c1-13-6-8(5-12-13)16-7-2-3-9(10(14)15)11-4-7/h2-6H,1H3,(H,14,15)
InChIKeyDEECJBZCTNWAEP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.66
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid

5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 115491227) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID115491227
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
SMILESCn1cc(Sc2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C10H9N3O2S/c1-13-6-8(5-12-13)16-7-2-3-9(10(14)15)11-4-7/h2-6H,1H3,(H,14,15)
InChIKeyDEECJBZCTNWAEP-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid (CID 115491227) is 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid is Cn1cc(Sc2ccc(C(=O)O)nc2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is DEECJBZCTNWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13-6-8(5-12-13)16-7-2-3-9(10(14)15)11-4-7/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid?
5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 115491227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).