3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid

C9H10N4O2 — CID 83833241

IUPAC3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid
SMILESCC(CC(=O)O)c1cccn2nnnc12
InChIInChI=1S/C9H10N4O2/c1-6(5-8(14)15)7-3-2-4-13-9(7)10-11-12-13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyXPQLKOQOGNKRHV-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.70
Rot. Bonds3

About 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid

3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid (PubChem CID 83833241) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid.

Molecular Properties

Compound Name3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid
PubChem CID83833241
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid
SMILESCC(CC(=O)O)c1cccn2nnnc12
InChIInChI=1S/C9H10N4O2/c1-6(5-8(14)15)7-3-2-4-13-9(7)10-11-12-13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyXPQLKOQOGNKRHV-UHFFFAOYSA-N
XLogP0.70
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(tetrazolo[1,5-a]pyridin-8-yl)ethanamine
CID 83826693
3-(2-chlorophenyl)butanoic acid
CID 54775987
3-naphthalen-1-ylbutanoic acid
CID 43211329
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
CID 167634596
CID 167634596
3-(2-methylsulfanyl-3-pyridinyl)butanoic acid
CID 84781865
3-[4-(5-propan-2-yltetrazol-1-yl)phenyl]butanoic acid
CID 104503110
3-cinnolin-4-ylbutanoic acid
CID 83887029
3-[2-(difluoromethyl)-3-fluorophenyl]butanoic acid
CID 84695364
3-[3-fluoro-2-(fluoromethyl)phenyl]butanoic acid
CID 84680186
3-(4-cyclopropyl-3-pyridinyl)butanoic acid
CID 83832846

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid?
The IUPAC name of 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid (CID 83833241) is 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid.
What is the SMILES notation for 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid?
The canonical SMILES for 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid is CC(CC(=O)O)c1cccn2nnnc12.
What is the InChIKey of 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid?
The InChIKey is XPQLKOQOGNKRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(5-8(14)15)7-3-2-4-13-9(7)10-11-12-13/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid?
3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid is sourced from PubChem (CID 83833241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).