N'-(4-bromobenzoyl)pyridine-4-carbohydrazide

C13H10BrN3O2 — CID 773412

IUPACN'-(4-bromobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C13H10BrN3O2/c14-11-3-1-9(2-4-11)12(18)16-17-13(19)10-5-7-15-8-6-10/h1-8H,(H,16,18)(H,17,19)
InChIKeyKVTNSTGDVCAVCV-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.92
Rot. Bonds2

About N'-(4-bromobenzoyl)pyridine-4-carbohydrazide

N'-(4-bromobenzoyl)pyridine-4-carbohydrazide (PubChem CID 773412) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)pyridine-4-carbohydrazide
PubChem CID773412
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN'-(4-bromobenzoyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C13H10BrN3O2/c14-11-3-1-9(2-4-11)12(18)16-17-13(19)10-5-7-15-8-6-10/h1-8H,(H,16,18)(H,17,19)
InChIKeyKVTNSTGDVCAVCV-UHFFFAOYSA-N
XLogP1.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)pyridine-4-carbohydrazide (CID 773412) is N'-(4-bromobenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)pyridine-4-carbohydrazide is O=C(NNC(=O)c1ccc(Br)cc1)c1ccncc1.
What is the InChIKey of N'-(4-bromobenzoyl)pyridine-4-carbohydrazide?
The InChIKey is KVTNSTGDVCAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-11-3-1-9(2-4-11)12(18)16-17-13(19)10-5-7-15-8-6-10/h1-8H,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromobenzoyl)pyridine-4-carbohydrazide?
N'-(4-bromobenzoyl)pyridine-4-carbohydrazide has a molecular weight of 320.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 773412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).