N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide

C12H10BrN5O3 — CID 107810328

IUPACN-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc1
InChIInChI=1S/C12H10BrN5O3/c13-9-5-8(18(20)21)2-4-10(9)16-12(19)11-3-1-7(17-14)6-15-11/h1-6,17H,14H2,(H,16,19)
InChIKeyLYDMQLRFFYPEKL-UHFFFAOYSA-N
MW352.15 g/mol
LogP2.29
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide

N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide (PubChem CID 107810328) has the molecular formula C12H10BrN5O3 and a molecular weight of 352.15 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide
PubChem CID107810328
Molecular FormulaC12H10BrN5O3
Molecular Weight352.15 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc1
InChIInChI=1S/C12H10BrN5O3/c13-9-5-8(18(20)21)2-4-10(9)16-12(19)11-3-1-7(17-14)6-15-11/h1-6,17H,14H2,(H,16,19)
InChIKeyLYDMQLRFFYPEKL-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

6-amino-N-(2-bromo-4-nitrophenyl)pyridazine-3-carboxamide
CID 107810243
N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107810326
N-(4-bromo-2-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642173
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
N-(4-bromo-2-ethylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642974
4-hydrazinyl-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62247149
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
ethyl 6-[(2-bromo-4-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 23735991
4-(aminomethyl)-N-(2-bromo-4-nitrophenyl)benzamide
CID 43710479
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
CID 82865202
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide (CID 107810328) is N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide is NNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is LYDMQLRFFYPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O3/c13-9-5-8(18(20)21)2-4-10(9)16-12(19)11-3-1-7(17-14)6-15-11/h1-6,17H,14H2,(H,16,19).
What are the key properties of N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide?
N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-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-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 107810328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).