4-methoxy-2-pyridin-3-ylaniline

C12H12N2O — CID 71445761

IUPAC4-methoxy-2-pyridin-3-ylaniline
SMILESCOc1ccc(N)c(-c2cccnc2)c1
InChIInChI=1S/C12H12N2O/c1-15-10-4-5-12(13)11(7-10)9-3-2-6-14-8-9/h2-8H,13H2,1H3
InChIKeyMXFLFABUXNQYCN-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.34
Rot. Bonds2

About 4-methoxy-2-pyridin-3-ylaniline

4-methoxy-2-pyridin-3-ylaniline (PubChem CID 71445761) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methoxy-2-pyridin-3-ylaniline.

Molecular Properties

Compound Name4-methoxy-2-pyridin-3-ylaniline
PubChem CID71445761
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-methoxy-2-pyridin-3-ylaniline
SMILESCOc1ccc(N)c(-c2cccnc2)c1
InChIInChI=1S/C12H12N2O/c1-15-10-4-5-12(13)11(7-10)9-3-2-6-14-8-9/h2-8H,13H2,1H3
InChIKeyMXFLFABUXNQYCN-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-2-pyridin-3-ylaniline?
The IUPAC name of 4-methoxy-2-pyridin-3-ylaniline (CID 71445761) is 4-methoxy-2-pyridin-3-ylaniline.
What is the SMILES notation for 4-methoxy-2-pyridin-3-ylaniline?
The canonical SMILES for 4-methoxy-2-pyridin-3-ylaniline is COc1ccc(N)c(-c2cccnc2)c1.
What is the InChIKey of 4-methoxy-2-pyridin-3-ylaniline?
The InChIKey is MXFLFABUXNQYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-10-4-5-12(13)11(7-10)9-3-2-6-14-8-9/h2-8H,13H2,1H3.
What are the key properties of 4-methoxy-2-pyridin-3-ylaniline?
4-methoxy-2-pyridin-3-ylaniline has a molecular weight of 200.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyridin-3-ylaniline is sourced from PubChem (CID 71445761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).