8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C15H5Cl2F6N5 — CID 134457785

IUPAC8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2c(Cl)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C15H5Cl2F6N5/c16-8-2-5(1-6-4-24-26-10(6)8)11-7(14(18,19)20)3-9(17)12-25-13(15(21,22)23)27-28(11)12/h1-4H,(H,24,26)
InChIKeyVYJHXNWOAKYBKY-UHFFFAOYSA-N
MW440.13 g/mol
LogP5.62
Rot. Bonds1

About 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457785) has the molecular formula C15H5Cl2F6N5 and a molecular weight of 440.13 g/mol. Its IUPAC name is 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457785
Molecular FormulaC15H5Cl2F6N5
Molecular Weight440.13 g/mol
Exact Mass438.98
IUPAC Name8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2c(Cl)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C15H5Cl2F6N5/c16-8-2-5(1-6-4-24-26-10(6)8)11-7(14(18,19)20)3-9(17)12-25-13(15(21,22)23)27-28(11)12/h1-4H,(H,24,26)
InChIKeyVYJHXNWOAKYBKY-UHFFFAOYSA-N
XLogP5.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.13
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
US11312712, Example 374
CID 122654337
US11312712, Example 314
CID 122654382
US11312712, Example 324
CID 122654405
3-(7-Chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
CID 122654438
3-(7-Chloro-1H-indazol-5-YL)-2,5-bis(trifluoromethyl)-3H-imidazo[4,5-B]pyridine
CID 122654449
US11312712, Example 207
CID 122654593
US11312712, Example 268
CID 122654652
US11312712, Example 312
CID 122654663
US11312712, Example 267
CID 122654708
US11312712, Example 274
CID 122654731
US11312712, Example 416
CID 122654852

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457785) is 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)c1nc2c(Cl)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VYJHXNWOAKYBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5Cl2F6N5/c16-8-2-5(1-6-4-24-26-10(6)8)11-7(14(18,19)20)3-9(17)12-25-13(15(21,22)23)27-28(11)12/h1-4H,(H,24,26).
What are the key properties of 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 440.13 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).