(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine

C9H9N3O3 — CID 69493876

IUPAC(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine
SMILESCc1cc2c(NN)ccc([N+](=O)[O-])c2o1
InChIInChI=1S/C9H9N3O3/c1-5-4-6-7(11-10)2-3-8(12(13)14)9(6)15-5/h2-4,11H,10H2,1H3
InChIKeyNKUVYLXBLZODOM-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.94
Rot. Bonds2

About (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine

(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine (PubChem CID 69493876) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine.

Molecular Properties

Compound Name(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine
PubChem CID69493876
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine
SMILESCc1cc2c(NN)ccc([N+](=O)[O-])c2o1
InChIInChI=1S/C9H9N3O3/c1-5-4-6-7(11-10)2-3-8(12(13)14)9(6)15-5/h2-4,11H,10H2,1H3
InChIKeyNKUVYLXBLZODOM-UHFFFAOYSA-N
XLogP1.94
TPSA94.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
carbon dioxide;2-methyl-7-nitro-1-benzofuran
CID 159902776
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
4-hydrazinyl-3-nitrobenzenethiol
CID 130955422
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
2-methyl-4,6-dinitro-1-benzofuran
CID 613702
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
CID 118835724

Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine?
The IUPAC name of (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine (CID 69493876) is (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine.
What is the SMILES notation for (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine?
The canonical SMILES for (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine is Cc1cc2c(NN)ccc([N+](=O)[O-])c2o1.
What is the InChIKey of (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine?
The InChIKey is NKUVYLXBLZODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-4-6-7(11-10)2-3-8(12(13)14)9(6)15-5/h2-4,11H,10H2,1H3.
What are the key properties of (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine?
(2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine has a molecular weight of 207.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7-nitro-1-benzofuran-4-yl)hydrazine is sourced from PubChem (CID 69493876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).