8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine

C10H11BrN2 — CID 118448156

IUPAC8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine
SMILESCC1=C2C=CC(Br)=CN2N=CCC1
InChIInChI=1S/C10H11BrN2/c1-8-3-2-6-12-13-7-9(11)4-5-10(8)13/h4-7H,2-3H2,1H3
InChIKeyNNIWFGBQIGAEJR-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.15
Rot. Bonds

About 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine

8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine (PubChem CID 118448156) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine.

Molecular Properties

Compound Name8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine
PubChem CID118448156
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine
SMILESCC1=C2C=CC(Br)=CN2N=CCC1
InChIInChI=1S/C10H11BrN2/c1-8-3-2-6-12-13-7-9(11)4-5-10(8)13/h4-7H,2-3H2,1H3
InChIKeyNNIWFGBQIGAEJR-UHFFFAOYSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine?
The IUPAC name of 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine (CID 118448156) is 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine.
What is the SMILES notation for 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine?
The canonical SMILES for 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine is CC1=C2C=CC(Br)=CN2N=CCC1.
What is the InChIKey of 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine?
The InChIKey is NNIWFGBQIGAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-8-3-2-6-12-13-7-9(11)4-5-10(8)13/h4-7H,2-3H2,1H3.
What are the key properties of 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine?
8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine has a molecular weight of 239.12 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-3,4-dihydropyrido[1,2-b]diazepine is sourced from PubChem (CID 118448156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).