13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene

C15H11BrN2 — CID 113303285

IUPAC13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
SMILESCc1ccn2c3c(nc2c1)-c1ccc(Br)cc1C3
InChIInChI=1S/C15H11BrN2/c1-9-4-5-18-13-8-10-7-11(16)2-3-12(10)15(13)17-14(18)6-9/h2-7H,8H2,1H3
InChIKeyAXHMAOYFCCNNFE-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.98
Rot. Bonds

About 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene

13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene (PubChem CID 113303285) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene.

Molecular Properties

Compound Name13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
PubChem CID113303285
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
SMILESCc1ccn2c3c(nc2c1)-c1ccc(Br)cc1C3
InChIInChI=1S/C15H11BrN2/c1-9-4-5-18-13-8-10-7-11(16)2-3-12(10)15(13)17-14(18)6-9/h2-7H,8H2,1H3
InChIKeyAXHMAOYFCCNNFE-UHFFFAOYSA-N
XLogP3.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene with MolForge

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Related Compounds

2-bromo-7-methyl-9H-fluorene
CID 21041918
12-bromo-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-4-amine
CID 114265496
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
CID 177064329
3-(chloromethyl)-2-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133026
1-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029416
1-[4-(3-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)-3-methylphenyl]-N-methylmethanamine
CID 134387919
2-(4,5-dibromofuran-2-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 63618120
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356379
2-(2-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 63617281
4,8-dimethylpyrido[1,2-a]pyrimidin-2-one
CID 599966

Frequently Asked Questions

What is the IUPAC name of 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene?
The IUPAC name of 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene (CID 113303285) is 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene.
What is the SMILES notation for 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene?
The canonical SMILES for 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene is Cc1ccn2c3c(nc2c1)-c1ccc(Br)cc1C3.
What is the InChIKey of 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene?
The InChIKey is AXHMAOYFCCNNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c1-9-4-5-18-13-8-10-7-11(16)2-3-12(10)15(13)17-14(18)6-9/h2-7H,8H2,1H3.
What are the key properties of 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene?
13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene has a molecular weight of 299.17 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-bromo-5-methyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene is sourced from PubChem (CID 113303285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).