3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine

C15H15F2N — CID 175294589

IUPAC3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine
SMILESCc1cncc(Cc2cccc(C(C)(F)F)c2)c1
InChIInChI=1S/C15H15F2N/c1-11-6-13(10-18-9-11)7-12-4-3-5-14(8-12)15(2,16)17/h3-6,8-10H,7H2,1-2H3
InChIKeyHSNBGDCWQXVIIS-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.09
Rot. Bonds3

About 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine

3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine (PubChem CID 175294589) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine
PubChem CID175294589
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine
SMILESCc1cncc(Cc2cccc(C(C)(F)F)c2)c1
InChIInChI=1S/C15H15F2N/c1-11-6-13(10-18-9-11)7-12-4-3-5-14(8-12)15(2,16)17/h3-6,8-10H,7H2,1-2H3
InChIKeyHSNBGDCWQXVIIS-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole
CID 159715926
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
3-[3-(1,1-difluoroethyl)phenyl]-N-methylpropan-1-amine
CID 116992431
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 20558537
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
3-chloro-5-[[4-chloro-3-(1,1-difluoroethyl)phenyl]methyl]pyridine
CID 175294603
2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
CID 106490734
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine?
The IUPAC name of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine (CID 175294589) is 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine.
What is the SMILES notation for 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine?
The canonical SMILES for 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine is Cc1cncc(Cc2cccc(C(C)(F)F)c2)c1.
What is the InChIKey of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine?
The InChIKey is HSNBGDCWQXVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-11-6-13(10-18-9-11)7-12-4-3-5-14(8-12)15(2,16)17/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine?
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine has a molecular weight of 247.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-methylpyridine is sourced from PubChem (CID 175294589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).