3-bromobenzohydrazide;dipyridin-2-ylmethanone

C18H15BrN4O2 — CID 118467850

IUPAC3-bromobenzohydrazide;dipyridin-2-ylmethanone
SMILESNNC(=O)c1cccc(Br)c1.O=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C11H8N2O.C7H7BrN2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;8-6-3-1-2-5(4-6)7(11)10-9/h1-8H;1-4H,9H2,(H,10,11)
InChIKeyDYRXFFMIVWXAGD-UHFFFAOYSA-N
MW399.25 g/mol
LogP2.76
Rot. Bonds3

About 3-bromobenzohydrazide;dipyridin-2-ylmethanone

3-bromobenzohydrazide;dipyridin-2-ylmethanone (PubChem CID 118467850) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 3-bromobenzohydrazide;dipyridin-2-ylmethanone.

Molecular Properties

Compound Name3-bromobenzohydrazide;dipyridin-2-ylmethanone
PubChem CID118467850
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name3-bromobenzohydrazide;dipyridin-2-ylmethanone
SMILESNNC(=O)c1cccc(Br)c1.O=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C11H8N2O.C7H7BrN2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;8-6-3-1-2-5(4-6)7(11)10-9/h1-8H;1-4H,9H2,(H,10,11)
InChIKeyDYRXFFMIVWXAGD-UHFFFAOYSA-N
XLogP2.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
[(3-bromophenyl)-pyridin-2-ylmethylidene]hydrazine
CID 131874594
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
N-benzoyl-3-bromobenzamide
CID 118577200
3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
CID 60615561
(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone
CID 12939592
1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2714936
[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
1-(3-bromophenyl)-2-iodoethanone
CID 22380807

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzohydrazide;dipyridin-2-ylmethanone?
The IUPAC name of 3-bromobenzohydrazide;dipyridin-2-ylmethanone (CID 118467850) is 3-bromobenzohydrazide;dipyridin-2-ylmethanone.
What is the SMILES notation for 3-bromobenzohydrazide;dipyridin-2-ylmethanone?
The canonical SMILES for 3-bromobenzohydrazide;dipyridin-2-ylmethanone is NNC(=O)c1cccc(Br)c1.O=C(c1ccccn1)c1ccccn1.
What is the InChIKey of 3-bromobenzohydrazide;dipyridin-2-ylmethanone?
The InChIKey is DYRXFFMIVWXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.C7H7BrN2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;8-6-3-1-2-5(4-6)7(11)10-9/h1-8H;1-4H,9H2,(H,10,11).
What are the key properties of 3-bromobenzohydrazide;dipyridin-2-ylmethanone?
3-bromobenzohydrazide;dipyridin-2-ylmethanone has a molecular weight of 399.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzohydrazide;dipyridin-2-ylmethanone is sourced from PubChem (CID 118467850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).