4,5-dimethoxy-2-pyridin-3-yloxyaniline

C13H14N2O3 — CID 83008307

IUPAC4,5-dimethoxy-2-pyridin-3-yloxyaniline
SMILESCOc1cc(N)c(Oc2cccnc2)cc1OC
InChIInChI=1S/C13H14N2O3/c1-16-12-6-10(14)11(7-13(12)17-2)18-9-4-3-5-15-8-9/h3-8H,14H2,1-2H3
InChIKeyVZJJDHQQEZDVOS-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.47
Rot. Bonds4

About 4,5-dimethoxy-2-pyridin-3-yloxyaniline

4,5-dimethoxy-2-pyridin-3-yloxyaniline (PubChem CID 83008307) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4,5-dimethoxy-2-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-pyridin-3-yloxyaniline
PubChem CID83008307
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4,5-dimethoxy-2-pyridin-3-yloxyaniline
SMILESCOc1cc(N)c(Oc2cccnc2)cc1OC
InChIInChI=1S/C13H14N2O3/c1-16-12-6-10(14)11(7-13(12)17-2)18-9-4-3-5-15-8-9/h3-8H,14H2,1-2H3
InChIKeyVZJJDHQQEZDVOS-UHFFFAOYSA-N
XLogP2.47
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-pyridin-3-yloxyaniline?
The IUPAC name of 4,5-dimethoxy-2-pyridin-3-yloxyaniline (CID 83008307) is 4,5-dimethoxy-2-pyridin-3-yloxyaniline.
What is the SMILES notation for 4,5-dimethoxy-2-pyridin-3-yloxyaniline?
The canonical SMILES for 4,5-dimethoxy-2-pyridin-3-yloxyaniline is COc1cc(N)c(Oc2cccnc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-pyridin-3-yloxyaniline?
The InChIKey is VZJJDHQQEZDVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-16-12-6-10(14)11(7-13(12)17-2)18-9-4-3-5-15-8-9/h3-8H,14H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-pyridin-3-yloxyaniline?
4,5-dimethoxy-2-pyridin-3-yloxyaniline has a molecular weight of 246.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-pyridin-3-yloxyaniline is sourced from PubChem (CID 83008307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).