5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid

C14H11FN4O2 — CID 169003892

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid
SMILESCc1c(F)cc(-c2ccn3nc(N)nc3c2)cc1C(=O)O
InChIInChI=1S/C14H11FN4O2/c1-7-10(13(20)21)4-9(5-11(7)15)8-2-3-19-12(6-8)17-14(16)18-19/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyKVFHTVJRJBPKIW-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.12
Rot. Bonds2

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid (PubChem CID 169003892) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid
PubChem CID169003892
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid
SMILESCc1c(F)cc(-c2ccn3nc(N)nc3c2)cc1C(=O)O
InChIInChI=1S/C14H11FN4O2/c1-7-10(13(20)21)4-9(5-11(7)15)8-2-3-19-12(6-8)17-14(16)18-19/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyKVFHTVJRJBPKIW-UHFFFAOYSA-N
XLogP2.12
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid (CID 169003892) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid is Cc1c(F)cc(-c2ccn3nc(N)nc3c2)cc1C(=O)O.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid?
The InChIKey is KVFHTVJRJBPKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-7-10(13(20)21)4-9(5-11(7)15)8-2-3-19-12(6-8)17-14(16)18-19/h2-6H,1H3,(H2,16,18)(H,20,21).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid has a molecular weight of 286.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid is sourced from PubChem (CID 169003892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).