8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C15H6ClF6N5 — CID 134452793

IUPAC8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1
InChIInChI=1S/C15H6ClF6N5/c16-9-4-6(3-7-5-23-25-11(7)9)10-8(14(17,18)19)1-2-27-12(10)24-13(26-27)15(20,21)22/h1-5H,(H,23,25)
InChIKeyQOJKLLQYDWXAJB-UHFFFAOYSA-N
MW405.69 g/mol
LogP4.96
Rot. Bonds1

About 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452793) has the molecular formula C15H6ClF6N5 and a molecular weight of 405.69 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452793
Molecular FormulaC15H6ClF6N5
Molecular Weight405.69 g/mol
Exact Mass405.02
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1
InChIInChI=1S/C15H6ClF6N5/c16-9-4-6(3-7-5-23-25-11(7)9)10-8(14(17,18)19)1-2-27-12(10)24-13(26-27)15(20,21)22/h1-5H,(H,23,25)
InChIKeyQOJKLLQYDWXAJB-UHFFFAOYSA-N
XLogP4.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.69
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452793) is 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)c1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C(F)(F)F)ccn2n1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QOJKLLQYDWXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N5/c16-9-4-6(3-7-5-23-25-11(7)9)10-8(14(17,18)19)1-2-27-12(10)24-13(26-27)15(20,21)22/h1-5H,(H,23,25).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 405.69 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).