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

C36H23Br7N6O2 — CID 158213649

IUPAC3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole
SMILESCOc1cc2c(cc1Br)[nH]c1ncc(Br)cc12.COc1ccc2[nH]c3ncc(Br)cc3c2c1Br.Cc1c(Br)cc2[nH]c3ncc(Br)cc3c2c1Br
InChIInChI=1S/C12H7Br3N2.2C12H8Br2N2O/c1-5-8(14)3-9-10(11(5)15)7-2-6(13)4-16-12(7)17-9;1-17-11-3-7-8-2-6(13)5-15-12(8)16-10(7)4-9(11)14;1-17-9-3-2-8-10(11(9)14)7-4-6(13)5-15-12(7)16-8/h2-4H,1H3,(H,16,17);2*2-5H,1H3,(H,15,16)
InChIKeyGCJLYJJHZGXPEY-UHFFFAOYSA-N
MW1130.95 g/mol
LogP13.81
Rot. Bonds2

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

3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole (PubChem CID 158213649) has the molecular formula C36H23Br7N6O2 and a molecular weight of 1130.95 g/mol. Its IUPAC name is 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole
PubChem CID158213649
Molecular FormulaC36H23Br7N6O2
Molecular Weight1130.95 g/mol
Exact Mass1123.62
IUPAC Name3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole
SMILESCOc1cc2c(cc1Br)[nH]c1ncc(Br)cc12.COc1ccc2[nH]c3ncc(Br)cc3c2c1Br.Cc1c(Br)cc2[nH]c3ncc(Br)cc3c2c1Br
InChIInChI=1S/C12H7Br3N2.2C12H8Br2N2O/c1-5-8(14)3-9-10(11(5)15)7-2-6(13)4-16-12(7)17-9;1-17-11-3-7-8-2-6(13)5-15-12(8)16-10(7)4-9(11)14;1-17-9-3-2-8-10(11(9)14)7-4-6(13)5-15-12(7)16-8/h2-4H,1H3,(H,16,17);2*2-5H,1H3,(H,15,16)
InChIKeyGCJLYJJHZGXPEY-UHFFFAOYSA-N
XLogP13.81
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.95
LogP ≤ 513.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole with MolForge

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Related Compounds

N-[(3-bromo-5-methoxy-1H-indol-7-yl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
CID 10432767
2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 20784523
3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole
CID 58028118
3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole
CID 58028130
[3-(4-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] acetate
CID 58790943
[3-(4-bromophenyl)-4-pyridin-4-yl-9H-pyrido[2,3-b]indol-6-yl] acetate
CID 58791055
3,5,7-tribromo-6-methoxy-9H-pyrido[2,3-b]indole
CID 71125528
CID 89294635
CID 89294635
CID 89294657
CID 89294657
(3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indol-5-yl)-methylidene-lambda3-bromane
CID 143620541
N-(2-bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-[4-[2-(ethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-[4-[2-(methylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 161174095
5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 162171252

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole (CID 158213649) is 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole is COc1cc2c(cc1Br)[nH]c1ncc(Br)cc12.COc1ccc2[nH]c3ncc(Br)cc3c2c1Br.Cc1c(Br)cc2[nH]c3ncc(Br)cc3c2c1Br.
What is the InChIKey of 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is GCJLYJJHZGXPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3N2.2C12H8Br2N2O/c1-5-8(14)3-9-10(11(5)15)7-2-6(13)4-16-12(7)17-9;1-17-11-3-7-8-2-6(13)5-15-12(8)16-10(7)4-9(11)14;1-17-9-3-2-8-10(11(9)14)7-4-6(13)5-15-12(7)16-8/h2-4H,1H3,(H,16,17);2*2-5H,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole?
3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 1130.95 g/mol, XLogP of 13.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,7-dibromo-6-methoxy-9H-pyrido[2,3-b]indole;3,5,7-tribromo-6-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 158213649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).