4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole

C14H13BrF4N2O — CID 172594891

IUPAC4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
SMILESCc1c(C(F)(F)F)c(Br)c2cnn(C3CCCCO3)c2c1F
InChIInChI=1S/C14H13BrF4N2O/c1-7-10(14(17,18)19)11(15)8-6-20-21(13(8)12(7)16)9-4-2-3-5-22-9/h6,9H,2-5H2,1H3
InChIKeyGJUWAMGECSMWKB-UHFFFAOYSA-N
MW381.17 g/mol
LogP4.96
Rot. Bonds1

About 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole

4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole (PubChem CID 172594891) has the molecular formula C14H13BrF4N2O and a molecular weight of 381.17 g/mol. Its IUPAC name is 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
PubChem CID172594891
Molecular FormulaC14H13BrF4N2O
Molecular Weight381.17 g/mol
Exact Mass380.01
IUPAC Name4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
SMILESCc1c(C(F)(F)F)c(Br)c2cnn(C3CCCCO3)c2c1F
InChIInChI=1S/C14H13BrF4N2O/c1-7-10(14(17,18)19)11(15)8-6-20-21(13(8)12(7)16)9-4-2-3-5-22-9/h6,9H,2-5H2,1H3
InChIKeyGJUWAMGECSMWKB-UHFFFAOYSA-N
XLogP4.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 178018729
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
CID 163261780
4-bromo-3-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
CID 135319055
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
tert-butyl-[[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]methylideneamino]-oxidosulfanium
CID 175636855
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
4-bromo-6,6-difluoro-5-methyl-1-(oxan-2-yl)-5,7-dihydrocyclopenta[f]indazole
CID 171567923
CID 148973784
CID 148973784

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole?
The IUPAC name of 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole (CID 172594891) is 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole.
What is the SMILES notation for 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole?
The canonical SMILES for 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole is Cc1c(C(F)(F)F)c(Br)c2cnn(C3CCCCO3)c2c1F.
What is the InChIKey of 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole?
The InChIKey is GJUWAMGECSMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF4N2O/c1-7-10(14(17,18)19)11(15)8-6-20-21(13(8)12(7)16)9-4-2-3-5-22-9/h6,9H,2-5H2,1H3.
What are the key properties of 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole?
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole has a molecular weight of 381.17 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole is sourced from PubChem (CID 172594891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).