N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide

C12H10BrN5O3 — CID 79760195

IUPACN-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H10BrN5O3/c13-9-3-2-8(5-10(9)18(20)21)16-12(19)7-1-4-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyKJYOWUASSGJAST-UHFFFAOYSA-N
MW352.15 g/mol
LogP2.29
Rot. Bonds4

About N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide

N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 79760195) has the molecular formula C12H10BrN5O3 and a molecular weight of 352.15 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID79760195
Molecular FormulaC12H10BrN5O3
Molecular Weight352.15 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H10BrN5O3/c13-9-3-2-8(5-10(9)18(20)21)16-12(19)7-1-4-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyKJYOWUASSGJAST-UHFFFAOYSA-N
XLogP2.29
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.15
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248318
N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107810326
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
2-amino-N-(4-bromo-3-nitrophenyl)pyridine-3-carboxamide
CID 79767789
6-hydrazinyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 51370235
N-(2,5-dibromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62247489
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide (CID 79760195) is N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide is NNc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is KJYOWUASSGJAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O3/c13-9-3-2-8(5-10(9)18(20)21)16-12(19)7-1-4-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19).
What are the key properties of N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 352.15 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 79760195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).