5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C9H7ClF3N3O — CID 165476214

IUPAC5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCc1nc2cc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C9H7ClF3N3O/c1-17-4-7-14-8-3-5(9(11,12)13)2-6(10)16(8)15-7/h2-3H,4H2,1H3
InChIKeyNUJSJEJNVOMJDS-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.55
Rot. Bonds2

About 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165476214) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165476214
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCc1nc2cc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C9H7ClF3N3O/c1-17-4-7-14-8-3-5(9(11,12)13)2-6(10)16(8)15-7/h2-3H,4H2,1H3
InChIKeyNUJSJEJNVOMJDS-UHFFFAOYSA-N
XLogP2.55
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 165475769
2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529869
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117257566
5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
CID 112694464
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
7-tert-butyl-5-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165476278
[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methanamine
CID 117258138
5-[4-(methoxymethyl)phenoxy]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 171652133
3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118995444
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)aniline
CID 66270093
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 165476214) is 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is COCc1nc2cc(C(F)(F)F)cc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NUJSJEJNVOMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c1-17-4-7-14-8-3-5(9(11,12)13)2-6(10)16(8)15-7/h2-3H,4H2,1H3.
What are the key properties of 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 265.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methoxymethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165476214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).