3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid

C11H6FN5O2 — CID 172533585

IUPAC3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-n2nnc3cccnc32)cc1F
InChIInChI=1S/C11H6FN5O2/c12-7-4-6(5-14-9(7)11(18)19)17-10-8(15-16-17)2-1-3-13-10/h1-5H,(H,18,19)
InChIKeyCSPPCPUDZKEFKN-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.05
Rot. Bonds2

About 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid

3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid (PubChem CID 172533585) has the molecular formula C11H6FN5O2 and a molecular weight of 259.20 g/mol. Its IUPAC name is 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid
PubChem CID172533585
Molecular FormulaC11H6FN5O2
Molecular Weight259.20 g/mol
Exact Mass259.05
IUPAC Name3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-n2nnc3cccnc32)cc1F
InChIInChI=1S/C11H6FN5O2/c12-7-4-6(5-14-9(7)11(18)19)17-10-8(15-16-17)2-1-3-13-10/h1-5H,(H,18,19)
InChIKeyCSPPCPUDZKEFKN-UHFFFAOYSA-N
XLogP1.05
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid (CID 172533585) is 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid is O=C(O)c1ncc(-n2nnc3cccnc32)cc1F.
What is the InChIKey of 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid?
The InChIKey is CSPPCPUDZKEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN5O2/c12-7-4-6(5-14-9(7)11(18)19)17-10-8(15-16-17)2-1-3-13-10/h1-5H,(H,18,19).
What are the key properties of 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid?
3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid has a molecular weight of 259.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(triazolo[4,5-b]pyridin-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 172533585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).