4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane

C15H19BrClFN2O — CID 163220520

IUPAC4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane
SMILESCC.Cc1c(F)c(Cl)c(Br)c2cn(C3CCCCO3)nc12
InChIInChI=1S/C13H13BrClFN2O.C2H6/c1-7-12(16)11(15)10(14)8-6-18(17-13(7)8)9-4-2-3-5-19-9;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeyPJOHWYBNQYJLAA-UHFFFAOYSA-N
MW377.69 g/mol
LogP5.63
Rot. Bonds1

About 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane

4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane (PubChem CID 163220520) has the molecular formula C15H19BrClFN2O and a molecular weight of 377.69 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane.

Molecular Properties

Compound Name4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane
PubChem CID163220520
Molecular FormulaC15H19BrClFN2O
Molecular Weight377.69 g/mol
Exact Mass376.04
IUPAC Name4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane
SMILESCC.Cc1c(F)c(Cl)c(Br)c2cn(C3CCCCO3)nc12
InChIInChI=1S/C13H13BrClFN2O.C2H6/c1-7-12(16)11(15)10(14)8-6-18(17-13(7)8)9-4-2-3-5-19-9;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeyPJOHWYBNQYJLAA-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.69
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-chloro-5-methyl-2-(oxan-2-yl)indazole
CID 165430986
5-bromo-4-methyl-2-[(2S)-oxan-2-yl]indazole
CID 97052372
4-fluoro-3-methyl-1-(oxan-2-yl)pyrazole
CID 164762772
(2,4,6-trichlorophenyl) 7-fluoro-2-(oxan-2-yl)indazole-4-carboxylate
CID 170974151
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
4-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazole
CID 169231441
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
CID 172594891
6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
CID 170610110
4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
CID 169184718
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane?
The IUPAC name of 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane (CID 163220520) is 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane.
What is the SMILES notation for 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane?
The canonical SMILES for 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane is CC.Cc1c(F)c(Cl)c(Br)c2cn(C3CCCCO3)nc12.
What is the InChIKey of 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane?
The InChIKey is PJOHWYBNQYJLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O.C2H6/c1-7-12(16)11(15)10(14)8-6-18(17-13(7)8)9-4-2-3-5-19-9;1-2/h6,9H,2-5H2,1H3;1-2H3.
What are the key properties of 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane?
4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane has a molecular weight of 377.69 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-fluoro-7-methyl-2-(oxan-2-yl)indazole;ethane is sourced from PubChem (CID 163220520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).