6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine

C11H10N4O3 — CID 3146295

IUPAC6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C11H10N4O3/c1-18-11-5-2-8(6-13-11)14-10-4-3-9(7-12-10)15(16)17/h2-7H,1H3,(H,12,14)
InChIKeyNGBJBYRZWIIOLP-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.14
Rot. Bonds4

About 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine

6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine (PubChem CID 3146295) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine
PubChem CID3146295
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1
InChIInChI=1S/C11H10N4O3/c1-18-11-5-2-8(6-13-11)14-10-4-3-9(7-12-10)15(16)17/h2-7H,1H3,(H,12,14)
InChIKeyNGBJBYRZWIIOLP-UHFFFAOYSA-N
XLogP2.14
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.14
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-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
The IUPAC name of 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine (CID 3146295) is 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine is COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1.
What is the InChIKey of 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
The InChIKey is NGBJBYRZWIIOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-18-11-5-2-8(6-13-11)14-10-4-3-9(7-12-10)15(16)17/h2-7H,1H3,(H,12,14).
What are the key properties of 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine?
6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine has a molecular weight of 246.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(5-nitro-2-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 3146295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).