N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide

C17H12BrN5O2 — CID 87660300

IUPACN'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccc(-c2ccccn2)n1)c1cccc(Br)n1
InChIInChI=1S/C17H12BrN5O2/c18-15-9-4-8-14(21-15)17(25)23-22-16(24)13-7-3-6-12(20-13)11-5-1-2-10-19-11/h1-10H,(H,22,24)(H,23,25)
InChIKeyJGUFKXKSOQTMBC-UHFFFAOYSA-N
MW398.22 g/mol
LogP2.38
Rot. Bonds3

About N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide

N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide (PubChem CID 87660300) has the molecular formula C17H12BrN5O2 and a molecular weight of 398.22 g/mol. Its IUPAC name is N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide
PubChem CID87660300
Molecular FormulaC17H12BrN5O2
Molecular Weight398.22 g/mol
Exact Mass397.02
IUPAC NameN'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccc(-c2ccccn2)n1)c1cccc(Br)n1
InChIInChI=1S/C17H12BrN5O2/c18-15-9-4-8-14(21-15)17(25)23-22-16(24)13-7-3-6-12(20-13)11-5-1-2-10-19-11/h1-10H,(H,22,24)(H,23,25)
InChIKeyJGUFKXKSOQTMBC-UHFFFAOYSA-N
XLogP2.38
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide?
The IUPAC name of N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide (CID 87660300) is N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide is O=C(NNC(=O)c1cccc(-c2ccccn2)n1)c1cccc(Br)n1.
What is the InChIKey of N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide?
The InChIKey is JGUFKXKSOQTMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2/c18-15-9-4-8-14(21-15)17(25)23-22-16(24)13-7-3-6-12(20-13)11-5-1-2-10-19-11/h1-10H,(H,22,24)(H,23,25).
What are the key properties of N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide?
N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide has a molecular weight of 398.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromopyridine-2-carbonyl)-6-pyridin-2-ylpyridine-2-carbohydrazide is sourced from PubChem (CID 87660300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).