2-(4-methyl-3-pyridinyl)aniline

C12H12N2 — CID 65438543

IUPAC2-(4-methyl-3-pyridinyl)aniline
SMILESCc1ccncc1-c1ccccc1N
InChIInChI=1S/C12H12N2/c1-9-6-7-14-8-11(9)10-4-2-3-5-12(10)13/h2-8H,13H2,1H3
InChIKeyQXUDWCPTACXNFF-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.64
Rot. Bonds1

About 2-(4-methyl-3-pyridinyl)aniline

2-(4-methyl-3-pyridinyl)aniline (PubChem CID 65438543) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)aniline.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)aniline
PubChem CID65438543
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-(4-methyl-3-pyridinyl)aniline
SMILESCc1ccncc1-c1ccccc1N
InChIInChI=1S/C12H12N2/c1-9-6-7-14-8-11(9)10-4-2-3-5-12(10)13/h2-8H,13H2,1H3
InChIKeyQXUDWCPTACXNFF-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 2-(4-methyl-3-pyridinyl)aniline?
The IUPAC name of 2-(4-methyl-3-pyridinyl)aniline (CID 65438543) is 2-(4-methyl-3-pyridinyl)aniline.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)aniline?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)aniline is Cc1ccncc1-c1ccccc1N.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)aniline?
The InChIKey is QXUDWCPTACXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-9-6-7-14-8-11(9)10-4-2-3-5-12(10)13/h2-8H,13H2,1H3.
What are the key properties of 2-(4-methyl-3-pyridinyl)aniline?
2-(4-methyl-3-pyridinyl)aniline 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 2-(4-methyl-3-pyridinyl)aniline is sourced from PubChem (CID 65438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).