6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile

C14H10N4O3 — CID 103471706

IUPAC6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(NC2COc3ccccc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O3/c15-7-10-12(18(19)20)5-6-14(16-10)17-11-8-21-13-4-2-1-3-9(11)13/h1-6,11H,8H2,(H,16,17)
InChIKeyOCJIUZXHQMFVBT-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.41
Rot. Bonds3

About 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile

6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile (PubChem CID 103471706) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile
PubChem CID103471706
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(NC2COc3ccccc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O3/c15-7-10-12(18(19)20)5-6-14(16-10)17-11-8-21-13-4-2-1-3-9(11)13/h1-6,11H,8H2,(H,16,17)
InChIKeyOCJIUZXHQMFVBT-UHFFFAOYSA-N
XLogP2.41
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile (CID 103471706) is 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile is N#Cc1nc(NC2COc3ccccc32)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile?
The InChIKey is OCJIUZXHQMFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-7-10-12(18(19)20)5-6-14(16-10)17-11-8-21-13-4-2-1-3-9(11)13/h1-6,11H,8H2,(H,16,17).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile?
6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile has a molecular weight of 282.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).