1-benzyl-3,5-dimethyl-2H-pyridine

C14H17N — CID 152701817

IUPAC1-benzyl-3,5-dimethyl-2H-pyridine
SMILESCC1=CN(Cc2ccccc2)CC(C)=C1
InChIInChI=1S/C14H17N/c1-12-8-13(2)10-15(9-12)11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyZRSWWOFKJGRVPQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.35
Rot. Bonds2

About 1-benzyl-3,5-dimethyl-2H-pyridine

1-benzyl-3,5-dimethyl-2H-pyridine (PubChem CID 152701817) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-2H-pyridine
PubChem CID152701817
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-benzyl-3,5-dimethyl-2H-pyridine
SMILESCC1=CN(Cc2ccccc2)CC(C)=C1
InChIInChI=1S/C14H17N/c1-12-8-13(2)10-15(9-12)11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyZRSWWOFKJGRVPQ-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-5-methyl-2H-pyridine
CID 15225953
1-benzyl-5-methyl-2,4-dihydropyridin-3-one
CID 91446287
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 22044317
2-benzyl-4-phenyl-1H-isoquinoline
CID 101006090
1-benzyl-3-methyl-2H-imidazole
CID 18674614
5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid
CID 22320574
methyl 1-benzyl-5-(2-methoxy-2-oxoethyl)-2H-pyridine-3-carboxylate
CID 169224419
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-2H-pyridine?
The IUPAC name of 1-benzyl-3,5-dimethyl-2H-pyridine (CID 152701817) is 1-benzyl-3,5-dimethyl-2H-pyridine.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-2H-pyridine?
The canonical SMILES for 1-benzyl-3,5-dimethyl-2H-pyridine is CC1=CN(Cc2ccccc2)CC(C)=C1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-2H-pyridine?
The InChIKey is ZRSWWOFKJGRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-12-8-13(2)10-15(9-12)11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-benzyl-3,5-dimethyl-2H-pyridine?
1-benzyl-3,5-dimethyl-2H-pyridine has a molecular weight of 199.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-2H-pyridine is sourced from PubChem (CID 152701817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).