3-chloro-7-(trifluoromethyl)-2H-indazole

C8H4ClF3N2 — CID 105476798

IUPAC3-chloro-7-(trifluoromethyl)-2H-indazole
SMILESFC(F)(F)c1cccc2c(Cl)[nH]nc12
InChIInChI=1S/C8H4ClF3N2/c9-7-4-2-1-3-5(8(10,11)12)6(4)13-14-7/h1-3H,(H,13,14)
InChIKeyZSVXXKIBOCSPGX-UHFFFAOYSA-N
MW220.58 g/mol
LogP3.24
Rot. Bonds

About 3-chloro-7-(trifluoromethyl)-2H-indazole

3-chloro-7-(trifluoromethyl)-2H-indazole (PubChem CID 105476798) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 3-chloro-7-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name3-chloro-7-(trifluoromethyl)-2H-indazole
PubChem CID105476798
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name3-chloro-7-(trifluoromethyl)-2H-indazole
SMILESFC(F)(F)c1cccc2c(Cl)[nH]nc12
InChIInChI=1S/C8H4ClF3N2/c9-7-4-2-1-3-5(8(10,11)12)6(4)13-14-7/h1-3H,(H,13,14)
InChIKeyZSVXXKIBOCSPGX-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-7-(trifluoromethyl)-2H-indazole
CID 58087989
4-chloro-8-(trifluoromethyl)cinnoline
CID 68581409
1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine
CID 117302300
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
CID 1481917
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
CID 117296994
[4-chloro-8-(trifluoromethyl)quinolin-2-yl]-pentafluoro-λ6-sulfane
CID 122693971
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467
3-methyl-4-(trifluoromethyl)-2H-indazole
CID 70840993
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(trifluoromethyl)-2H-indazole?
The IUPAC name of 3-chloro-7-(trifluoromethyl)-2H-indazole (CID 105476798) is 3-chloro-7-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 3-chloro-7-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 3-chloro-7-(trifluoromethyl)-2H-indazole is FC(F)(F)c1cccc2c(Cl)[nH]nc12.
What is the InChIKey of 3-chloro-7-(trifluoromethyl)-2H-indazole?
The InChIKey is ZSVXXKIBOCSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-7-4-2-1-3-5(8(10,11)12)6(4)13-14-7/h1-3H,(H,13,14).
What are the key properties of 3-chloro-7-(trifluoromethyl)-2H-indazole?
3-chloro-7-(trifluoromethyl)-2H-indazole has a molecular weight of 220.58 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 105476798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).