2-methoxy-3-pyridin-2-ylaniline

C12H12N2O — CID 171626476

IUPAC2-methoxy-3-pyridin-2-ylaniline
SMILESCOc1c(N)cccc1-c1ccccn1
InChIInChI=1S/C12H12N2O/c1-15-12-9(5-4-6-10(12)13)11-7-2-3-8-14-11/h2-8H,13H2,1H3
InChIKeyZCQPKVVNODOYGI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.34
Rot. Bonds2

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

2-methoxy-3-pyridin-2-ylaniline (PubChem CID 171626476) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methoxy-3-pyridin-2-ylaniline.

Molecular Properties

Compound Name2-methoxy-3-pyridin-2-ylaniline
PubChem CID171626476
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-methoxy-3-pyridin-2-ylaniline
SMILESCOc1c(N)cccc1-c1ccccn1
InChIInChI=1S/C12H12N2O/c1-15-12-9(5-4-6-10(12)13)11-7-2-3-8-14-11/h2-8H,13H2,1H3
InChIKeyZCQPKVVNODOYGI-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 2-methoxy-3-pyridin-2-ylaniline?
The IUPAC name of 2-methoxy-3-pyridin-2-ylaniline (CID 171626476) is 2-methoxy-3-pyridin-2-ylaniline.
What is the SMILES notation for 2-methoxy-3-pyridin-2-ylaniline?
The canonical SMILES for 2-methoxy-3-pyridin-2-ylaniline is COc1c(N)cccc1-c1ccccn1.
What is the InChIKey of 2-methoxy-3-pyridin-2-ylaniline?
The InChIKey is ZCQPKVVNODOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12-9(5-4-6-10(12)13)11-7-2-3-8-14-11/h2-8H,13H2,1H3.
What are the key properties of 2-methoxy-3-pyridin-2-ylaniline?
2-methoxy-3-pyridin-2-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 2-methoxy-3-pyridin-2-ylaniline is sourced from PubChem (CID 171626476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).