2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide

C13H9BrCl2N4O2 — CID 118110158

IUPAC2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
SMILESNc1ncc(Br)cc1C(=O)NNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2N4O2/c14-6-4-7(11(17)18-5-6)12(21)19-20-13(22)10-8(15)2-1-3-9(10)16/h1-5H,(H2,17,18)(H,19,21)(H,20,22)
InChIKeyYTWWWUDKKKOPHQ-UHFFFAOYSA-N
MW404.05 g/mol
LogP2.81
Rot. Bonds2

About 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide

2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 118110158) has the molecular formula C13H9BrCl2N4O2 and a molecular weight of 404.05 g/mol. Its IUPAC name is 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
PubChem CID118110158
Molecular FormulaC13H9BrCl2N4O2
Molecular Weight404.05 g/mol
Exact Mass401.93
IUPAC Name2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
SMILESNc1ncc(Br)cc1C(=O)NNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2N4O2/c14-6-4-7(11(17)18-5-6)12(21)19-20-13(22)10-8(15)2-1-3-9(10)16/h1-5H,(H2,17,18)(H,19,21)(H,20,22)
InChIKeyYTWWWUDKKKOPHQ-UHFFFAOYSA-N
XLogP2.81
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 55042996
2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
CID 118110256
2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 62160777
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 63500588
2-amino-5-bromo-N-(2,4-dibromophenyl)pyridine-3-carboxamide
CID 62187349
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 65498887
2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 62503690

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide (CID 118110158) is 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide is Nc1ncc(Br)cc1C(=O)NNC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is YTWWWUDKKKOPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N4O2/c14-6-4-7(11(17)18-5-6)12(21)19-20-13(22)10-8(15)2-1-3-9(10)16/h1-5H,(H2,17,18)(H,19,21)(H,20,22).
What are the key properties of 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide?
2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 404.05 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 118110158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).