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

C14H11FN4O3 — CID 82555693

IUPAC2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccc(-c2ccc3nc(N)nn3c2C(=O)O)c(F)c1
InChIInChI=1S/C14H11FN4O3/c1-22-7-2-3-8(10(15)6-7)9-4-5-11-17-14(16)18-19(11)12(9)13(20)21/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyIDLQXFPCFVORDO-UHFFFAOYSA-N
MW302.27 g/mol
LogP1.82
Rot. Bonds3

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

2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82555693) has the molecular formula C14H11FN4O3 and a molecular weight of 302.27 g/mol. Its IUPAC name is 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82555693
Molecular FormulaC14H11FN4O3
Molecular Weight302.27 g/mol
Exact Mass302.08
IUPAC Name2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccc(-c2ccc3nc(N)nn3c2C(=O)O)c(F)c1
InChIInChI=1S/C14H11FN4O3/c1-22-7-2-3-8(10(15)6-7)9-4-5-11-17-14(16)18-19(11)12(9)13(20)21/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyIDLQXFPCFVORDO-UHFFFAOYSA-N
XLogP1.82
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 171382899
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
CID 102885475
4-(2-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 102882416
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140
tert-butyl 4-amino-3-(2-fluoro-4-methoxyphenyl)-5-methylpyrazole-1-carboxylate
CID 42873965
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
4-(2-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 171777951

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82555693) is 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is COc1ccc(-c2ccc3nc(N)nn3c2C(=O)O)c(F)c1.
What is the InChIKey of 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is IDLQXFPCFVORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3/c1-22-7-2-3-8(10(15)6-7)9-4-5-11-17-14(16)18-19(11)12(9)13(20)21/h2-6H,1H3,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 302.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82555693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).