6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine

C13H13FN2 — CID 167101312

IUPAC6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine
SMILESCc1cccc(Cc2ccc(F)nc2C)n1
InChIInChI=1S/C13H13FN2/c1-9-4-3-5-12(15-9)8-11-6-7-13(14)16-10(11)2/h3-7H,8H2,1-2H3
InChIKeyIDOCGPALANCXTL-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.82
Rot. Bonds2

About 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine

6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine (PubChem CID 167101312) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine
PubChem CID167101312
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine
SMILESCc1cccc(Cc2ccc(F)nc2C)n1
InChIInChI=1S/C13H13FN2/c1-9-4-3-5-12(15-9)8-11-6-7-13(14)16-10(11)2/h3-7H,8H2,1-2H3
InChIKeyIDOCGPALANCXTL-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine?
The IUPAC name of 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine (CID 167101312) is 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine.
What is the SMILES notation for 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine?
The canonical SMILES for 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine is Cc1cccc(Cc2ccc(F)nc2C)n1.
What is the InChIKey of 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine?
The InChIKey is IDOCGPALANCXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-4-3-5-12(15-9)8-11-6-7-13(14)16-10(11)2/h3-7H,8H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine?
6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine has a molecular weight of 216.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridine is sourced from PubChem (CID 167101312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).