1,3,5-trimethyl-2H-pyridine

C8H13N — CID 22046103

IUPAC1,3,5-trimethyl-2H-pyridine
SMILESCC1=CN(C)CC(C)=C1
InChIInChI=1S/C8H13N/c1-7-4-8(2)6-9(3)5-7/h4-5H,6H2,1-3H3
InChIKeyRNRIZSBEESLNCF-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds

About 1,3,5-trimethyl-2H-pyridine

1,3,5-trimethyl-2H-pyridine (PubChem CID 22046103) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,3,5-trimethyl-2H-pyridine.

Molecular Properties

Compound Name1,3,5-trimethyl-2H-pyridine
PubChem CID22046103
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,3,5-trimethyl-2H-pyridine
SMILESCC1=CN(C)CC(C)=C1
InChIInChI=1S/C8H13N/c1-7-4-8(2)6-9(3)5-7/h4-5H,6H2,1-3H3
InChIKeyRNRIZSBEESLNCF-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2H-pyridine?
The IUPAC name of 1,3,5-trimethyl-2H-pyridine (CID 22046103) is 1,3,5-trimethyl-2H-pyridine.
What is the SMILES notation for 1,3,5-trimethyl-2H-pyridine?
The canonical SMILES for 1,3,5-trimethyl-2H-pyridine is CC1=CN(C)CC(C)=C1.
What is the InChIKey of 1,3,5-trimethyl-2H-pyridine?
The InChIKey is RNRIZSBEESLNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-8(2)6-9(3)5-7/h4-5H,6H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-2H-pyridine?
1,3,5-trimethyl-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2H-pyridine is sourced from PubChem (CID 22046103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).