2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine

C19H18FN3 — CID 58106865

IUPAC2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
SMILESCc1cccc(C(F)(c2cccc(C)n2)c2cccc(C)n2)n1
InChIInChI=1S/C19H18FN3/c1-13-7-4-10-16(21-13)19(20,17-11-5-8-14(2)22-17)18-12-6-9-15(3)23-18/h4-12H,1-3H3
InChIKeyGQKJTSWTBIDQDP-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.06
Rot. Bonds3

About 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine

2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine (PubChem CID 58106865) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
PubChem CID58106865
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
SMILESCc1cccc(C(F)(c2cccc(C)n2)c2cccc(C)n2)n1
InChIInChI=1S/C19H18FN3/c1-13-7-4-10-16(21-13)19(20,17-11-5-8-14(2)22-17)18-12-6-9-15(3)23-18/h4-12H,1-3H3
InChIKeyGQKJTSWTBIDQDP-UHFFFAOYSA-N
XLogP4.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine 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-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
The IUPAC name of 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine (CID 58106865) is 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine is Cc1cccc(C(F)(c2cccc(C)n2)c2cccc(C)n2)n1.
What is the InChIKey of 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
The InChIKey is GQKJTSWTBIDQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-13-7-4-10-16(21-13)19(20,17-11-5-8-14(2)22-17)18-12-6-9-15(3)23-18/h4-12H,1-3H3.
What are the key properties of 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine has a molecular weight of 307.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine is sourced from PubChem (CID 58106865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).