3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole

C13H12Br2N2O — CID 143620482

IUPAC3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole
SMILESCOC1C(Br)=c2c([nH]c3ncc(Br)cc23)=CC1C
InChIInChI=1S/C13H12Br2N2O/c1-6-3-9-10(11(15)12(6)18-2)8-4-7(14)5-16-13(8)17-9/h3-6,12H,1-2H3,(H,16,17)
InChIKeyRLAIUIGJNLPVCI-UHFFFAOYSA-N
MW372.06 g/mol
LogP2.27
Rot. Bonds1

About 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole

3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole (PubChem CID 143620482) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole
PubChem CID143620482
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole
SMILESCOC1C(Br)=c2c([nH]c3ncc(Br)cc23)=CC1C
InChIInChI=1S/C13H12Br2N2O/c1-6-3-9-10(11(15)12(6)18-2)8-4-7(14)5-16-13(8)17-9/h3-6,12H,1-2H3,(H,16,17)
InChIKeyRLAIUIGJNLPVCI-UHFFFAOYSA-N
XLogP2.27
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 22477574
5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 123822296
5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 155703362
methyl 3-bromo-9H-pyrido[2,3-b]indole-6-carboxylate
CID 57458947
methyl 5-bromo-2-(2-methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759074
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072
5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 10429778
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide
CID 141399732
ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 166831298

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole?
The IUPAC name of 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole (CID 143620482) is 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole.
What is the SMILES notation for 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole?
The canonical SMILES for 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole is COC1C(Br)=c2c([nH]c3ncc(Br)cc23)=CC1C.
What is the InChIKey of 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole?
The InChIKey is RLAIUIGJNLPVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-6-3-9-10(11(15)12(6)18-2)8-4-7(14)5-16-13(8)17-9/h3-6,12H,1-2H3,(H,16,17).
What are the key properties of 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole?
3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole has a molecular weight of 372.06 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole is sourced from PubChem (CID 143620482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).