methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

C17H14ClF3N4O4 — CID 171553122

IUPACmethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2cc(C)c(Oc3ncc(Cl)cc3OCC(F)(F)F)c(C)n2n1
InChIInChI=1S/C17H14ClF3N4O4/c1-8-4-12-23-14(16(26)27-3)24-25(12)9(2)13(8)29-15-11(5-10(18)6-22-15)28-7-17(19,20)21/h4-6H,7H2,1-3H3
InChIKeyOXAXEYIPZXEPNW-UHFFFAOYSA-N
MW430.77 g/mol
LogP3.91
Rot. Bonds5

About methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 171553122) has the molecular formula C17H14ClF3N4O4 and a molecular weight of 430.77 g/mol. Its IUPAC name is methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
PubChem CID171553122
Molecular FormulaC17H14ClF3N4O4
Molecular Weight430.77 g/mol
Exact Mass430.07
IUPAC Namemethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2cc(C)c(Oc3ncc(Cl)cc3OCC(F)(F)F)c(C)n2n1
InChIInChI=1S/C17H14ClF3N4O4/c1-8-4-12-23-14(16(26)27-3)24-25(12)9(2)13(8)29-15-11(5-10(18)6-22-15)28-7-17(19,20)21/h4-6H,7H2,1-3H3
InChIKeyOXAXEYIPZXEPNW-UHFFFAOYSA-N
XLogP3.91
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553169
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553076
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate
CID 171552964
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate
CID 171553006
6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553116
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553080
5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine
CID 171552626
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)-7-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 176911215
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 171552895
3-chloro-5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553206
6-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 171552680
methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 171553083

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate (CID 171553122) is methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1nc2cc(C)c(Oc3ncc(Cl)cc3OCC(F)(F)F)c(C)n2n1.
What is the InChIKey of methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is OXAXEYIPZXEPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O4/c1-8-4-12-23-14(16(26)27-3)24-25(12)9(2)13(8)29-15-11(5-10(18)6-22-15)28-7-17(19,20)21/h4-6H,7H2,1-3H3.
What are the key properties of methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 430.77 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 171553122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).