4,4,5-trimethyl-3H-pyridine

C8H13N — CID 89326513

IUPAC4,4,5-trimethyl-3H-pyridine
SMILESCC1=CN=CCC1(C)C
InChIInChI=1S/C8H13N/c1-7-6-9-5-4-8(7,2)3/h5-6H,4H2,1-3H3
InChIKeyBNFNUXWPTRRVSA-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds

About 4,4,5-trimethyl-3H-pyridine

4,4,5-trimethyl-3H-pyridine (PubChem CID 89326513) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4,4,5-trimethyl-3H-pyridine.

Molecular Properties

Compound Name4,4,5-trimethyl-3H-pyridine
PubChem CID89326513
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4,4,5-trimethyl-3H-pyridine
SMILESCC1=CN=CCC1(C)C
InChIInChI=1S/C8H13N/c1-7-6-9-5-4-8(7,2)3/h5-6H,4H2,1-3H3
InChIKeyBNFNUXWPTRRVSA-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-3H-pyridine?
The IUPAC name of 4,4,5-trimethyl-3H-pyridine (CID 89326513) is 4,4,5-trimethyl-3H-pyridine.
What is the SMILES notation for 4,4,5-trimethyl-3H-pyridine?
The canonical SMILES for 4,4,5-trimethyl-3H-pyridine is CC1=CN=CCC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-3H-pyridine?
The InChIKey is BNFNUXWPTRRVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-6-9-5-4-8(7,2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-3H-pyridine?
4,4,5-trimethyl-3H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-3H-pyridine is sourced from PubChem (CID 89326513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).