7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

C15H12BrN3O — CID 630183

IUPAC7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrN3O/c1-19-13-6-5-10(16)8-11(13)15(18-9-14(19)20)12-4-2-3-7-17-12/h2-8H,9H2,1H3
InChIKeyGIBKFDFZIZIKGJ-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.66
Rot. Bonds1

About 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one (PubChem CID 630183) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
PubChem CID630183
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrN3O/c1-19-13-6-5-10(16)8-11(13)15(18-9-14(19)20)12-4-2-3-7-17-12/h2-8H,9H2,1H3
InChIKeyGIBKFDFZIZIKGJ-UHFFFAOYSA-N
XLogP2.66
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one (CID 630183) is 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one is CN1C(=O)CN=C(c2ccccn2)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
The InChIKey is GIBKFDFZIZIKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-19-13-6-5-10(16)8-11(13)15(18-9-14(19)20)12-4-2-3-7-17-12/h2-8H,9H2,1H3.
What are the key properties of 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one has a molecular weight of 330.19 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 630183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).