2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C14H9F3N4O2 — CID 82556809

IUPAC2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)c(-c3ccc(C(F)(F)F)cc3)cn2n1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)8-3-1-7(2-4-8)10-6-21-11(19-13(18)20-21)5-9(10)12(22)23/h1-6H,(H2,18,20)(H,22,23)
InChIKeyMHVKMKQLPLJQOZ-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82556809) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82556809
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)c(-c3ccc(C(F)(F)F)cc3)cn2n1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)8-3-1-7(2-4-8)10-6-21-11(19-13(18)20-21)5-9(10)12(22)23/h1-6H,(H2,18,20)(H,22,23)
InChIKeyMHVKMKQLPLJQOZ-UHFFFAOYSA-N
XLogP2.70
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556780
2-amino-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556781
2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555687
2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556787
2-amino-6-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555678
2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid
CID 169003930
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-fluoro-2-methylbenzoic acid
CID 169003892
N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide
CID 67216149
6-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 87792303
7-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 155212695
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82556809) is 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Nc1nc2cc(C(=O)O)c(-c3ccc(C(F)(F)F)cc3)cn2n1.
What is the InChIKey of 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is MHVKMKQLPLJQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)8-3-1-7(2-4-8)10-6-21-11(19-13(18)20-21)5-9(10)12(22)23/h1-6H,(H2,18,20)(H,22,23).
What are the key properties of 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 322.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82556809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).