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

C14H10BrN3O — CID 2441

💊View drug profile → bromazepam
IUPAC7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
InChIKeyVMIYHDSEFNYJSL-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.63
Rot. Bonds1

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

7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 2441) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID2441
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
InChIKeyVMIYHDSEFNYJSL-UHFFFAOYSA-N
XLogP2.63
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxybromazepam
CID 166774
N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 2301666
(E)-3-(5-bromo-2-fluorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 16251030
N-(4-bromo-2-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
CID 10024158
4-(8-Bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile
CID 25210562
N-(2-(5-Bromo-1H-indol-3-yl)ethyl)acetamide
CID 44281234
4-bromo-3-methyl-N-(pyridin-2-ylmethyl)aniline
CID 872016
(4-Bromo-2-methylphenyl)(2-pyridinylmethyl)amine oxalate
CID 2852690
5-bromo-3-pyridin-3-ylimino-1H-indol-2-one
CID 135432053
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192
N-((1E)-2-(4-pyridyl)-1-azavinyl)-2-[(4-bromophenyl)amino]acetamide
CID 9657994
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(2-diethylamino)ethyl-5-(2-pyridyl)-, hydrochloride
CID 19866

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 2441) is 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is VMIYHDSEFNYJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19).
What are the key properties of 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 316.16 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 2441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).