(7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine

C14H11BrFN5 — CID 21492786

IUPAC(7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
SMILESNNC1=Nc2cc(F)c(Br)cc2C(c2ccccn2)=NC1
InChIInChI=1S/C14H11BrFN5/c15-9-5-8-12(6-10(9)16)20-13(21-17)7-19-14(8)11-3-1-2-4-18-11/h1-6H,7,17H2,(H,20,21)
InChIKeyDJDRZHNVVTYUKN-UHFFFAOYSA-N
MW348.18 g/mol
LogP2.33
Rot. Bonds1

About (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine

(7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine (PubChem CID 21492786) has the molecular formula C14H11BrFN5 and a molecular weight of 348.18 g/mol. Its IUPAC name is (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine.

Molecular Properties

Compound Name(7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
PubChem CID21492786
Molecular FormulaC14H11BrFN5
Molecular Weight348.18 g/mol
Exact Mass347.02
IUPAC Name(7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
SMILESNNC1=Nc2cc(F)c(Br)cc2C(c2ccccn2)=NC1
InChIInChI=1S/C14H11BrFN5/c15-9-5-8-12(6-10(9)16)20-13(21-17)7-19-14(8)11-3-1-2-4-18-11/h1-6H,7,17H2,(H,20,21)
InChIKeyDJDRZHNVVTYUKN-UHFFFAOYSA-N
XLogP2.33
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The IUPAC name of (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine (CID 21492786) is (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine.
What is the SMILES notation for (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The canonical SMILES for (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine is NNC1=Nc2cc(F)c(Br)cc2C(c2ccccn2)=NC1.
What is the InChIKey of (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The InChIKey is DJDRZHNVVTYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN5/c15-9-5-8-12(6-10(9)16)20-13(21-17)7-19-14(8)11-3-1-2-4-18-11/h1-6H,7,17H2,(H,20,21).
What are the key properties of (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
(7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine has a molecular weight of 348.18 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-8-fluoro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine is sourced from PubChem (CID 21492786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).