8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine

C12H10BrN3 — CID 121379663

IUPAC8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
SMILESBrc1ccc2c(c1)NCc1cccnc1N2
InChIInChI=1S/C12H10BrN3/c13-9-3-4-10-11(6-9)15-7-8-2-1-5-14-12(8)16-10/h1-6,15H,7H2,(H,14,16)
InChIKeyPWMXAJGXKNTFMF-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.51
Rot. Bonds

About 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine

8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine (PubChem CID 121379663) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine.

Molecular Properties

Compound Name8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
PubChem CID121379663
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
SMILESBrc1ccc2c(c1)NCc1cccnc1N2
InChIInChI=1S/C12H10BrN3/c13-9-3-4-10-11(6-9)15-7-8-2-1-5-14-12(8)16-10/h1-6,15H,7H2,(H,14,16)
InChIKeyPWMXAJGXKNTFMF-UHFFFAOYSA-N
XLogP3.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
CID 154974464
8-[(3R)-oxan-3-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 125494862
8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen
CID 145094752
8-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 121389643
2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane
CID 121389486
(1S)-5-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-1-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 146175096
9-bromo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
CID 22156739
3-(8-bromo-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclobutan-1-one
CID 121389548
8-(1,4-dioxan-2-yl)-9-fluoro-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 145303950
4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
CID 154974491
7-bromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 10538060
(4S)-5-(9-fluoro-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129102787

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
The IUPAC name of 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine (CID 121379663) is 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine.
What is the SMILES notation for 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
The canonical SMILES for 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine is Brc1ccc2c(c1)NCc1cccnc1N2.
What is the InChIKey of 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
The InChIKey is PWMXAJGXKNTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-9-3-4-10-11(6-9)15-7-8-2-1-5-14-12(8)16-10/h1-6,15H,7H2,(H,14,16).
What are the key properties of 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine?
8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine has a molecular weight of 276.14 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine is sourced from PubChem (CID 121379663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).