3-methyl-2-pyridin-3-ylaniline

C12H12N2 — CID 22482419

IUPAC3-methyl-2-pyridin-3-ylaniline
SMILESCc1cccc(N)c1-c1cccnc1
InChIInChI=1S/C12H12N2/c1-9-4-2-6-11(13)12(9)10-5-3-7-14-8-10/h2-8H,13H2,1H3
InChIKeyWVIJETVJLVUULC-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.64
Rot. Bonds1

About 3-methyl-2-pyridin-3-ylaniline

3-methyl-2-pyridin-3-ylaniline (PubChem CID 22482419) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-2-pyridin-3-ylaniline.

Molecular Properties

Compound Name3-methyl-2-pyridin-3-ylaniline
PubChem CID22482419
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-methyl-2-pyridin-3-ylaniline
SMILESCc1cccc(N)c1-c1cccnc1
InChIInChI=1S/C12H12N2/c1-9-4-2-6-11(13)12(9)10-5-3-7-14-8-10/h2-8H,13H2,1H3
InChIKeyWVIJETVJLVUULC-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-3-ylaniline?
The IUPAC name of 3-methyl-2-pyridin-3-ylaniline (CID 22482419) is 3-methyl-2-pyridin-3-ylaniline.
What is the SMILES notation for 3-methyl-2-pyridin-3-ylaniline?
The canonical SMILES for 3-methyl-2-pyridin-3-ylaniline is Cc1cccc(N)c1-c1cccnc1.
What is the InChIKey of 3-methyl-2-pyridin-3-ylaniline?
The InChIKey is WVIJETVJLVUULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-9-4-2-6-11(13)12(9)10-5-3-7-14-8-10/h2-8H,13H2,1H3.
What are the key properties of 3-methyl-2-pyridin-3-ylaniline?
3-methyl-2-pyridin-3-ylaniline has a molecular weight of 184.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-3-ylaniline is sourced from PubChem (CID 22482419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).