5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide

C8H7BrClN3O2 — CID 58997432

IUPAC5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C8H7BrClN3O2/c9-5-1-2-6(11-4-5)8(15)13-12-7(14)3-10/h1-2,4H,3H2,(H,12,14)(H,13,15)
InChIKeySMNMRQMMMGXHQB-UHFFFAOYSA-N
MW292.52 g/mol
LogP0.84
Rot. Bonds2

About 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide

5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide (PubChem CID 58997432) has the molecular formula C8H7BrClN3O2 and a molecular weight of 292.52 g/mol. Its IUPAC name is 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide
PubChem CID58997432
Molecular FormulaC8H7BrClN3O2
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C8H7BrClN3O2/c9-5-1-2-6(11-4-5)8(15)13-12-7(14)3-10/h1-2,4H,3H2,(H,12,14)(H,13,15)
InChIKeySMNMRQMMMGXHQB-UHFFFAOYSA-N
XLogP0.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 62952846
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5-bromo-N-propan-2-ylpyridine-2-carboxamide
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5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
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CID 62953356
4-bromo-N'-(2-chloroacetyl)-1H-pyrazole-5-carbohydrazide
CID 12921227
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
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5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
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CID 79351145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide (CID 58997432) is 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide is O=C(CCl)NNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide?
The InChIKey is SMNMRQMMMGXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3O2/c9-5-1-2-6(11-4-5)8(15)13-12-7(14)3-10/h1-2,4H,3H2,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide?
5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide has a molecular weight of 292.52 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 58997432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).