2-methyl-6-nitro-1-benzofuran-4-amine

C9H8N2O3 — CID 23009702

IUPAC2-methyl-6-nitro-1-benzofuran-4-amine
SMILESCc1cc2c(N)cc([N+](=O)[O-])cc2o1
InChIInChI=1S/C9H8N2O3/c1-5-2-7-8(10)3-6(11(12)13)4-9(7)14-5/h2-4H,10H2,1H3
InChIKeyFZUOPLMKOUGASG-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.23
Rot. Bonds1

About 2-methyl-6-nitro-1-benzofuran-4-amine

2-methyl-6-nitro-1-benzofuran-4-amine (PubChem CID 23009702) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-methyl-6-nitro-1-benzofuran-4-amine.

Molecular Properties

Compound Name2-methyl-6-nitro-1-benzofuran-4-amine
PubChem CID23009702
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-methyl-6-nitro-1-benzofuran-4-amine
SMILESCc1cc2c(N)cc([N+](=O)[O-])cc2o1
InChIInChI=1S/C9H8N2O3/c1-5-2-7-8(10)3-6(11(12)13)4-9(7)14-5/h2-4H,10H2,1H3
InChIKeyFZUOPLMKOUGASG-UHFFFAOYSA-N
XLogP2.23
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-methyl-4,6-dinitro-1-benzofuran
CID 613702
2-fluoro-3-methyl-5-nitroaniline
CID 130935349
3-amino-2-methyl-5-nitrobenzamide
CID 19141
3-nitronaphthalene-1,7-diamine
CID 142394174
3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934
2-amino-6-methyl-4-nitrobenzenesulfonamide
CID 142791442
1-N,3-dimethyl-5-nitrobenzene-1,2-diamine
CID 175921943
2-methyl-5-nitroaniline sulfate
CID 20841862
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2,3-dibutyl-5-nitroaniline
CID 67257238
2,2-dimethyl-5-nitro-3H-1-benzofuran-7-amine
CID 134096625
2-methyl-6-(4-nitrophenyl)-5-phenyl-1-benzofuran
CID 174494373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-1-benzofuran-4-amine?
The IUPAC name of 2-methyl-6-nitro-1-benzofuran-4-amine (CID 23009702) is 2-methyl-6-nitro-1-benzofuran-4-amine.
What is the SMILES notation for 2-methyl-6-nitro-1-benzofuran-4-amine?
The canonical SMILES for 2-methyl-6-nitro-1-benzofuran-4-amine is Cc1cc2c(N)cc([N+](=O)[O-])cc2o1.
What is the InChIKey of 2-methyl-6-nitro-1-benzofuran-4-amine?
The InChIKey is FZUOPLMKOUGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-2-7-8(10)3-6(11(12)13)4-9(7)14-5/h2-4H,10H2,1H3.
What are the key properties of 2-methyl-6-nitro-1-benzofuran-4-amine?
2-methyl-6-nitro-1-benzofuran-4-amine has a molecular weight of 192.17 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-1-benzofuran-4-amine is sourced from PubChem (CID 23009702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).