2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid

C8H6FN3O2 — CID 105448678

IUPAC2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2ccc(F)cn12
InChIInChI=1S/C8H6FN3O2/c9-5-1-2-6-10-11-7(3-8(13)14)12(6)4-5/h1-2,4H,3H2,(H,13,14)
InChIKeyWDYWEHMYKOEEFQ-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.50
Rot. Bonds2

About 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid

2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid (PubChem CID 105448678) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
PubChem CID105448678
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2ccc(F)cn12
InChIInChI=1S/C8H6FN3O2/c9-5-1-2-6-10-11-7(3-8(13)14)12(6)4-5/h1-2,4H,3H2,(H,13,14)
InChIKeyWDYWEHMYKOEEFQ-UHFFFAOYSA-N
XLogP0.50
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
CID 166537867
2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 66849645
3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 82058709
ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674805
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate
CID 129299700
3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82530345
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid
CID 141366775
3-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53157931

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid (CID 105448678) is 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid is O=C(O)Cc1nnc2ccc(F)cn12.
What is the InChIKey of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The InChIKey is WDYWEHMYKOEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c9-5-1-2-6-10-11-7(3-8(13)14)12(6)4-5/h1-2,4H,3H2,(H,13,14).
What are the key properties of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid has a molecular weight of 195.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 105448678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).