6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile

C10H11N3O5 — CID 170984893

IUPAC6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile
SMILESCOCCOc1cc([N+](=O)[O-])c(C#N)nc1OC
InChIInChI=1S/C10H11N3O5/c1-16-3-4-18-9-5-8(13(14)15)7(6-11)12-10(9)17-2/h5H,3-4H2,1-2H3
InChIKeyABCVRVXEKZOAHD-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.90
Rot. Bonds6

About 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile

6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile (PubChem CID 170984893) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile
PubChem CID170984893
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile
SMILESCOCCOc1cc([N+](=O)[O-])c(C#N)nc1OC
InChIInChI=1S/C10H11N3O5/c1-16-3-4-18-9-5-8(13(14)15)7(6-11)12-10(9)17-2/h5H,3-4H2,1-2H3
InChIKeyABCVRVXEKZOAHD-UHFFFAOYSA-N
XLogP0.90
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile (CID 170984893) is 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile is COCCOc1cc([N+](=O)[O-])c(C#N)nc1OC.
What is the InChIKey of 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile?
The InChIKey is ABCVRVXEKZOAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-16-3-4-18-9-5-8(13(14)15)7(6-11)12-10(9)17-2/h5H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile?
6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile has a molecular weight of 253.21 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(2-methoxyethoxy)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 170984893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).