N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide

C12H10BrN5O3 — CID 107810326

IUPACN-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1
InChIInChI=1S/C12H10BrN5O3/c13-9-5-8(18(20)21)2-3-10(9)16-12(19)7-1-4-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyYDMPRCTYBNEIMF-UHFFFAOYSA-N
MW352.15 g/mol
LogP2.29
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide

N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 107810326) has the molecular formula C12H10BrN5O3 and a molecular weight of 352.15 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID107810326
Molecular FormulaC12H10BrN5O3
Molecular Weight352.15 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1
InChIInChI=1S/C12H10BrN5O3/c13-9-5-8(18(20)21)2-3-10(9)16-12(19)7-1-4-11(17-14)15-6-7/h1-6H,14H2,(H,15,17)(H,16,19)
InChIKeyYDMPRCTYBNEIMF-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-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 107810328
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 79760195
4-(aminomethyl)-N-(2-bromo-4-nitrophenyl)benzamide
CID 43710479
N-(2,5-dibromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62247489
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
6-amino-N-(2-bromo-4-nitrophenyl)pyridazine-3-carboxamide
CID 107810243
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide (CID 107810326) is N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide is NNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is YDMPRCTYBNEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O3/c13-9-5-8(18(20)21)2-3-10(9)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-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide?
N-(2-bromo-4-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-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 107810326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).