8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C17H10ClF5N4 — CID 163694187

IUPAC8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C1Cc2cc(-c3c(C(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1
InChIInChI=1S/C17H10ClF5N4/c1-7-4-9-5-8(6-11(18)13(9)24-7)12-10(14(19)20)2-3-27-15(12)25-16(26-27)17(21,22)23/h2-3,5-6,14,24H,1,4H2
InChIKeyJVNCISBTJJQXQN-UHFFFAOYSA-N
MW400.74 g/mol
LogP5.49
Rot. Bonds2

About 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 163694187) has the molecular formula C17H10ClF5N4 and a molecular weight of 400.74 g/mol. Its IUPAC name is 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID163694187
Molecular FormulaC17H10ClF5N4
Molecular Weight400.74 g/mol
Exact Mass400.05
IUPAC Name8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C1Cc2cc(-c3c(C(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1
InChIInChI=1S/C17H10ClF5N4/c1-7-4-9-5-8(6-11(18)13(9)24-7)12-10(14(19)20)2-3-27-15(12)25-16(26-27)17(21,22)23/h2-3,5-6,14,24H,1,4H2
InChIKeyJVNCISBTJJQXQN-UHFFFAOYSA-N
XLogP5.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 163694187) is 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is C=C1Cc2cc(-c3c(C(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1.
What is the InChIKey of 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JVNCISBTJJQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF5N4/c1-7-4-9-5-8(6-11(18)13(9)24-7)12-10(14(19)20)2-3-27-15(12)25-16(26-27)17(21,22)23/h2-3,5-6,14,24H,1,4H2.
What are the key properties of 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 400.74 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 163694187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).