2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide

C12H11N5O3 — CID 115937008

IUPAC2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
SMILESNNc1c(C(=O)Nc2ccccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O3/c13-16-11-8(4-3-5-9(11)17(19)20)12(18)15-10-6-1-2-7-14-10/h1-7,16H,13H2,(H,14,15,18)
InChIKeyILACZDONOYMXMO-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.53
Rot. Bonds4

About 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide

2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide (PubChem CID 115937008) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
PubChem CID115937008
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
SMILESNNc1c(C(=O)Nc2ccccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O3/c13-16-11-8(4-3-5-9(11)17(19)20)12(18)15-10-6-1-2-7-14-10/h1-7,16H,13H2,(H,14,15,18)
InChIKeyILACZDONOYMXMO-UHFFFAOYSA-N
XLogP1.53
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.53
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-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
CID 115937226
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-2-ylbenzamide
CID 62247733
2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914479
3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
CID 4027518
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
CID 62154161
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide (CID 115937008) is 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide is NNc1c(C(=O)Nc2ccccn2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide?
The InChIKey is ILACZDONOYMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c13-16-11-8(4-3-5-9(11)17(19)20)12(18)15-10-6-1-2-7-14-10/h1-7,16H,13H2,(H,14,15,18).
What are the key properties of 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide?
2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide has a molecular weight of 273.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 115937008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).