3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C12H7FN4O2 — CID 113452949

IUPAC3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3cncc(F)c3)n2c1
InChIInChI=1S/C12H7FN4O2/c13-9-3-8(4-14-5-9)11-16-15-10-2-1-7(12(18)19)6-17(10)11/h1-6H,(H,18,19)
InChIKeyTUZSLORFUVZVET-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.63
Rot. Bonds2

About 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 113452949) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID113452949
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3cncc(F)c3)n2c1
InChIInChI=1S/C12H7FN4O2/c13-9-3-8(4-14-5-9)11-16-15-10-2-1-7(12(18)19)6-17(10)11/h1-6H,(H,18,19)
InChIKeyTUZSLORFUVZVET-UHFFFAOYSA-N
XLogP1.63
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63211830
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 134795363
3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136789864
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134794472
3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114375488
3-(4-bromo-2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389315
ethyl 3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 25219507
3-(5-bromo-4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 79997539
3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390041
3-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62919620

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 113452949) is 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(-c3cncc(F)c3)n2c1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is TUZSLORFUVZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-9-3-8(4-14-5-9)11-16-15-10-2-1-7(12(18)19)6-17(10)11/h1-6H,(H,18,19).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 113452949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).