2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine

C12H17FN2 — CID 135135104

IUPAC2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine
SMILESCc1cc(CC2(C)CCNC2)cc(F)n1
InChIInChI=1S/C12H17FN2/c1-9-5-10(6-11(13)15-9)7-12(2)3-4-14-8-12/h5-6,14H,3-4,7-8H2,1-2H3
InChIKeyMMOHIWNMMQBOCZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.07
Rot. Bonds2

About 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine

2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine (PubChem CID 135135104) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine
PubChem CID135135104
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine
SMILESCc1cc(CC2(C)CCNC2)cc(F)n1
InChIInChI=1S/C12H17FN2/c1-9-5-10(6-11(13)15-9)7-12(2)3-4-14-8-12/h5-6,14H,3-4,7-8H2,1-2H3
InChIKeyMMOHIWNMMQBOCZ-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)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 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine (CID 135135104) is 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine is Cc1cc(CC2(C)CCNC2)cc(F)n1.
What is the InChIKey of 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine?
The InChIKey is MMOHIWNMMQBOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-5-10(6-11(13)15-9)7-12(2)3-4-14-8-12/h5-6,14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine?
2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine has a molecular weight of 208.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 135135104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).