6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

C13H13BrFNO — CID 167477379

IUPAC6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCc1c(Br)cc(F)c2[nH]c3c(c12)C(C)COC3
InChIInChI=1S/C13H13BrFNO/c1-6-4-17-5-10-11(6)12-7(2)8(14)3-9(15)13(12)16-10/h3,6,16H,4-5H2,1-2H3
InChIKeyWWPSIOQXMFGAMM-UHFFFAOYSA-N
MW298.16 g/mol
LogP4.01
Rot. Bonds

About 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 167477379) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID167477379
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCc1c(Br)cc(F)c2[nH]c3c(c12)C(C)COC3
InChIInChI=1S/C13H13BrFNO/c1-6-4-17-5-10-11(6)12-7(2)8(14)3-9(15)13(12)16-10/h3,6,16H,4-5H2,1-2H3
InChIKeyWWPSIOQXMFGAMM-UHFFFAOYSA-N
XLogP4.01
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole with MolForge

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Related Compounds

5-bromo-7-fluoro-2,4-dimethyl-1H-indole
CID 167477335
4,5,6,7,8,8-hexamethyl-3,4,6,7-tetrahydro-1H-cyclopenta[g]isochromene
CID 121408619
6,8,9-trifluoro-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 65335500
4-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-2,5-difluoro-N-methylbenzamide
CID 166526545
3-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-4-fluoro-N-methylbenzamide
CID 166526199
8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 156888488
5-bromo-8-fluoro-6-methyl-1-propan-2-yl-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 141078798
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165453256
(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 158248898
6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 146300112
4,6-dibromo-7-methyl-1H-indazole
CID 164895348

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 167477379) is 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is Cc1c(Br)cc(F)c2[nH]c3c(c12)C(C)COC3.
What is the InChIKey of 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is WWPSIOQXMFGAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-6-4-17-5-10-11(6)12-7(2)8(14)3-9(15)13(12)16-10/h3,6,16H,4-5H2,1-2H3.
What are the key properties of 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 298.16 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 167477379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).