2-[(3-methyl-2-pyridinyl)oxy]aniline

C12H12N2O — CID 62253528

IUPAC2-[(3-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cccnc1Oc1ccccc1N
InChIInChI=1S/C12H12N2O/c1-9-5-4-8-14-12(9)15-11-7-3-2-6-10(11)13/h2-8H,13H2,1H3
InChIKeyOHBGEDDZWZBGJR-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.76
Rot. Bonds2

About 2-[(3-methyl-2-pyridinyl)oxy]aniline

2-[(3-methyl-2-pyridinyl)oxy]aniline (PubChem CID 62253528) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)oxy]aniline
PubChem CID62253528
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-[(3-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cccnc1Oc1ccccc1N
InChIInChI=1S/C12H12N2O/c1-9-5-4-8-14-12(9)15-11-7-3-2-6-10(11)13/h2-8H,13H2,1H3
InChIKeyOHBGEDDZWZBGJR-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-[(3-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)oxy]aniline (CID 62253528) is 2-[(3-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)oxy]aniline is Cc1cccnc1Oc1ccccc1N.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is OHBGEDDZWZBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-5-4-8-14-12(9)15-11-7-3-2-6-10(11)13/h2-8H,13H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)oxy]aniline?
2-[(3-methyl-2-pyridinyl)oxy]aniline has a molecular weight of 200.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 62253528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).