6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid

C10H9N5O2S — CID 62240584

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H9N5O2S/c16-9(17)7-2-1-3-8(11-7)18-10-12-13-14-15(10)6-4-5-6/h1-3,6H,4-5H2,(H,16,17)
InChIKeyHBFJTCQUSUMWRY-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.25
Rot. Bonds4

About 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid

6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 62240584) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID62240584
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H9N5O2S/c16-9(17)7-2-1-3-8(11-7)18-10-12-13-14-15(10)6-4-5-6/h1-3,6H,4-5H2,(H,16,17)
InChIKeyHBFJTCQUSUMWRY-UHFFFAOYSA-N
XLogP1.25
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid (CID 62240584) is 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid is O=C(O)c1cccc(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is HBFJTCQUSUMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c16-9(17)7-2-1-3-8(11-7)18-10-12-13-14-15(10)6-4-5-6/h1-3,6H,4-5H2,(H,16,17).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid?
6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 62240584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).