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

C14H11FN4O3 — CID 82555694

IUPAC2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ccc2nc(N)nn2c1C(=O)O
InChIInChI=1S/C14H11FN4O3/c1-22-10-4-2-7(15)6-9(10)8-3-5-11-17-14(16)18-19(11)12(8)13(20)21/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyKEZFPIHFSQVCSO-UHFFFAOYSA-N
MW302.27 g/mol
LogP1.82
Rot. Bonds3

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

2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82555694) has the molecular formula C14H11FN4O3 and a molecular weight of 302.27 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82555694
Molecular FormulaC14H11FN4O3
Molecular Weight302.27 g/mol
Exact Mass302.08
IUPAC Name2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ccc2nc(N)nn2c1C(=O)O
InChIInChI=1S/C14H11FN4O3/c1-22-10-4-2-7(15)6-9(10)8-3-5-11-17-14(16)18-19(11)12(8)13(20)21/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyKEZFPIHFSQVCSO-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

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Related Compounds

2-amino-6-(2-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555693
2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555680
5-amino-4-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82091667
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
2-amino-6-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555678
6-(5-fluoro-2-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94287740
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 82392808
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 95482065
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82555694) is 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is COc1ccc(F)cc1-c1ccc2nc(N)nn2c1C(=O)O.
What is the InChIKey of 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is KEZFPIHFSQVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3/c1-22-10-4-2-7(15)6-9(10)8-3-5-11-17-14(16)18-19(11)12(8)13(20)21/h2-6H,1H3,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-6-(5-fluoro-2-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-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82555694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).