3,4,5-trimethyl-2-phenylpyridine

C14H15N — CID 59359504

IUPAC3,4,5-trimethyl-2-phenylpyridine
SMILESCc1cnc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C14H15N/c1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeyIIYNXXPDUFXMIA-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.67
Rot. Bonds1

About 3,4,5-trimethyl-2-phenylpyridine

3,4,5-trimethyl-2-phenylpyridine (PubChem CID 59359504) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,4,5-trimethyl-2-phenylpyridine.

Molecular Properties

Compound Name3,4,5-trimethyl-2-phenylpyridine
PubChem CID59359504
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name3,4,5-trimethyl-2-phenylpyridine
SMILESCc1cnc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C14H15N/c1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeyIIYNXXPDUFXMIA-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2-phenylpyridine?
The IUPAC name of 3,4,5-trimethyl-2-phenylpyridine (CID 59359504) is 3,4,5-trimethyl-2-phenylpyridine.
What is the SMILES notation for 3,4,5-trimethyl-2-phenylpyridine?
The canonical SMILES for 3,4,5-trimethyl-2-phenylpyridine is Cc1cnc(-c2ccccc2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-2-phenylpyridine?
The InChIKey is IIYNXXPDUFXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13/h4-9H,1-3H3.
What are the key properties of 3,4,5-trimethyl-2-phenylpyridine?
3,4,5-trimethyl-2-phenylpyridine has a molecular weight of 197.28 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2-phenylpyridine is sourced from PubChem (CID 59359504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).