6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole

C11H10ClF3N2 — CID 177150203

IUPAC6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole
SMILESCc1c(CCC(F)(F)F)c(Cl)cc2[nH]ncc12
InChIInChI=1S/C11H10ClF3N2/c1-6-7(2-3-11(13,14)15)9(12)4-10-8(6)5-16-17-10/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyXGABGHZTJBKILP-UHFFFAOYSA-N
MW262.66 g/mol
LogP4.02
Rot. Bonds2

About 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole

6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole (PubChem CID 177150203) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole
PubChem CID177150203
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC Name6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole
SMILESCc1c(CCC(F)(F)F)c(Cl)cc2[nH]ncc12
InChIInChI=1S/C11H10ClF3N2/c1-6-7(2-3-11(13,14)15)9(12)4-10-8(6)5-16-17-10/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyXGABGHZTJBKILP-UHFFFAOYSA-N
XLogP4.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole
CID 176974904
4-butan-2-yl-6-chloro-5-methyl-1H-indazole
CID 177000627
5-chloro-4-ethyl-6-fluoro-1H-indazole
CID 139364624
5-fluoro-4-methyl-1H-indazol-6-ol
CID 163233375
4-bromo-5,6-dichloro-1H-indazole
CID 139345853
5,6-dichloro-1H-indazol-4-ol
CID 163323751
5-chloro-4-iodo-6-methyl-1H-indazole
CID 176951364
5-chloro-6-fluoro-4-(2-methylbutan-2-yl)-1H-indazole
CID 170282210
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183
5,6-dichloro-3H-benzo[e]indazole
CID 54145395
4-fluoro-6-methyl-1H-indazole
CID 24728805
4-chloro-1H-indazole-6-carboxylic acid
CID 24728396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole?
The IUPAC name of 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole (CID 177150203) is 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole.
What is the SMILES notation for 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole?
The canonical SMILES for 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole is Cc1c(CCC(F)(F)F)c(Cl)cc2[nH]ncc12.
What is the InChIKey of 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole?
The InChIKey is XGABGHZTJBKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c1-6-7(2-3-11(13,14)15)9(12)4-10-8(6)5-16-17-10/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole?
6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole has a molecular weight of 262.66 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole is sourced from PubChem (CID 177150203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).