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Bromazepam

C14H10BrN3O — CID 2441

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Bromazepam

Bromazepam (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 NameBromazepam
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

N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 2301666
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
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
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 Bromazepam?
The IUPAC name of Bromazepam (CID 2441) is 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for Bromazepam?
The canonical SMILES for Bromazepam is O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1.
What is the InChIKey of Bromazepam?
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 Bromazepam?
Bromazepam 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 Bromazepam is sourced from PubChem (CID 2441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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