1-pyridin-3-yl-4-(trifluoromethyl)indazole

C13H8F3N3 — CID 90252813

IUPAC1-pyridin-3-yl-4-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c1cnn2-c1cccnc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)11-4-1-5-12-10(11)8-18-19(12)9-3-2-6-17-7-9/h1-8H
InChIKeyUPBCNQMRHHYGNJ-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.44
Rot. Bonds1

About 1-pyridin-3-yl-4-(trifluoromethyl)indazole

1-pyridin-3-yl-4-(trifluoromethyl)indazole (PubChem CID 90252813) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-pyridin-3-yl-4-(trifluoromethyl)indazole.

Molecular Properties

Compound Name1-pyridin-3-yl-4-(trifluoromethyl)indazole
PubChem CID90252813
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name1-pyridin-3-yl-4-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c1cnn2-c1cccnc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)11-4-1-5-12-10(11)8-18-19(12)9-3-2-6-17-7-9/h1-8H
InChIKeyUPBCNQMRHHYGNJ-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-4-(trifluoromethyl)indazole?
The IUPAC name of 1-pyridin-3-yl-4-(trifluoromethyl)indazole (CID 90252813) is 1-pyridin-3-yl-4-(trifluoromethyl)indazole.
What is the SMILES notation for 1-pyridin-3-yl-4-(trifluoromethyl)indazole?
The canonical SMILES for 1-pyridin-3-yl-4-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c1cnn2-c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-4-(trifluoromethyl)indazole?
The InChIKey is UPBCNQMRHHYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)11-4-1-5-12-10(11)8-18-19(12)9-3-2-6-17-7-9/h1-8H.
What are the key properties of 1-pyridin-3-yl-4-(trifluoromethyl)indazole?
1-pyridin-3-yl-4-(trifluoromethyl)indazole has a molecular weight of 263.22 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-4-(trifluoromethyl)indazole is sourced from PubChem (CID 90252813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).