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

C13H13FN2 — CID 86673484

IUPAC2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
SMILESCc1cccc(C(F)c2cccc(C)n2)n1
InChIInChI=1S/C13H13FN2/c1-9-5-3-7-11(15-9)13(14)12-8-4-6-10(2)16-12/h3-8,13H,1-2H3
InChIKeyKFTFTNLNHUOACP-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.15
Rot. Bonds2

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

2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine (PubChem CID 86673484) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
PubChem CID86673484
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
SMILESCc1cccc(C(F)c2cccc(C)n2)n1
InChIInChI=1S/C13H13FN2/c1-9-5-3-7-11(15-9)13(14)12-8-4-6-10(2)16-12/h3-8,13H,1-2H3
InChIKeyKFTFTNLNHUOACP-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-Bipyridine
CID 1474
2,6-Lutidine
CID 7937
Sib 1893
CID 5311432
2,3,6-Trimethylpyridine
CID 15100
1,2-Di(2-pyridyl)ethylene
CID 5374802
6,6'-Bi-2-picoline
CID 20445
6-Ethyl-2-picoline
CID 14287
2,6-Dimethylpyridine N-oxide
CID 14083
2,6-Di-tert-butylpyridine
CID 68510
1,2,6-Trimethylpyridinium iodide
CID 17309
Di-2-pyridinylmethanone oxime
CID 73805
2,2'-Ethylenedipyridine
CID 222708

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
The IUPAC name of 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine (CID 86673484) is 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine is Cc1cccc(C(F)c2cccc(C)n2)n1.
What is the InChIKey of 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
The InChIKey is KFTFTNLNHUOACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-5-3-7-11(15-9)13(14)12-8-4-6-10(2)16-12/h3-8,13H,1-2H3.
What are the key properties of 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine?
2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine has a molecular weight of 216.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-methylpyridine is sourced from PubChem (CID 86673484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).