6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine

C14H11N3O3 — CID 114734495

IUPAC6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H11N3O3/c1-15-13-7-6-10(17(18)19)14(16-13)12-8-9-4-2-3-5-11(9)20-12/h2-8H,1H3,(H,15,16)
InChIKeyGMADSHFQEJIVDZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.44
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine

6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine (PubChem CID 114734495) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine
PubChem CID114734495
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H11N3O3/c1-15-13-7-6-10(17(18)19)14(16-13)12-8-9-4-2-3-5-11(9)20-12/h2-8H,1H3,(H,15,16)
InChIKeyGMADSHFQEJIVDZ-UHFFFAOYSA-N
XLogP3.44
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitrophenoxazin-3-one
CID 56623997
2-(4-nitrophenyl)-1-benzofuran
CID 638459
6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine
CID 114734766
N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663109
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 63485228
6-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80800953
6-benzylsulfanyl-N-methyl-5-nitropyridin-2-amine
CID 80885163
6-N-methyl-3-nitro-2-N-(2,4,5-trichlorophenyl)pyridine-2,6-diamine
CID 80748177
2-N-(4-bromo-3-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617867
2-N-(4-bromo-2-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80772257
4-(1-benzofuran-2-yl)-1-[(2-nitrophenyl)methyl]pyridin-1-ium
CID 118730708

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine (CID 114734495) is 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is GMADSHFQEJIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-15-13-7-6-10(17(18)19)14(16-13)12-8-9-4-2-3-5-11(9)20-12/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine?
6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 269.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 114734495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).