(E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine

C10H13N3O3 — CID 10867913

IUPAC(E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine
SMILESCOc1nccc(/C=C/N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-12(2)7-5-8-4-6-11-10(16-3)9(8)13(14)15/h4-7H,1-3H3/b7-5+
InChIKeyJUMZKSSQQBQUDE-FNORWQNLSA-N
MW223.23 g/mol
LogP1.53
Rot. Bonds4

About (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine

(E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine (PubChem CID 10867913) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine
PubChem CID10867913
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine
SMILESCOc1nccc(/C=C/N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-12(2)7-5-8-4-6-11-10(16-3)9(8)13(14)15/h4-7H,1-3H3/b7-5+
InChIKeyJUMZKSSQQBQUDE-FNORWQNLSA-N
XLogP1.53
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine (CID 10867913) is (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine is COc1nccc(/C=C/N(C)C)c1[N+](=O)[O-].
What is the InChIKey of (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine?
The InChIKey is JUMZKSSQQBQUDE-FNORWQNLSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12(2)7-5-8-4-6-11-10(16-3)9(8)13(14)15/h4-7H,1-3H3/b7-5+.
What are the key properties of (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine?
(E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine has a molecular weight of 223.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-methoxy-3-nitro-4-pyridinyl)-N,N-dimethylethenamine is sourced from PubChem (CID 10867913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).