3-(2-tert-butyl-4-methylphenyl)pyridine

C16H19N — CID 130318628

IUPAC3-(2-tert-butyl-4-methylphenyl)pyridine
SMILESCc1ccc(-c2cccnc2)c(C(C)(C)C)c1
InChIInChI=1S/C16H19N/c1-12-7-8-14(13-6-5-9-17-11-13)15(10-12)16(2,3)4/h5-11H,1-4H3
InChIKeyOHRWVVZACUYKID-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.35
Rot. Bonds1

About 3-(2-tert-butyl-4-methylphenyl)pyridine

3-(2-tert-butyl-4-methylphenyl)pyridine (PubChem CID 130318628) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methylphenyl)pyridine
PubChem CID130318628
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name3-(2-tert-butyl-4-methylphenyl)pyridine
SMILESCc1ccc(-c2cccnc2)c(C(C)(C)C)c1
InChIInChI=1S/C16H19N/c1-12-7-8-14(13-6-5-9-17-11-13)15(10-12)16(2,3)4/h5-11H,1-4H3
InChIKeyOHRWVVZACUYKID-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3,6,8-tris(4-methylphenyl)pyren-1-yl]pyridine
CID 58924986
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine
CID 176828009
3-[4-(2,2-dimethylpropyl)-2-methylphenyl]pyridine
CID 91541835
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
3-(2-methylphenyl)pyridine
CID 4133191

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methylphenyl)pyridine?
The IUPAC name of 3-(2-tert-butyl-4-methylphenyl)pyridine (CID 130318628) is 3-(2-tert-butyl-4-methylphenyl)pyridine.
What is the SMILES notation for 3-(2-tert-butyl-4-methylphenyl)pyridine?
The canonical SMILES for 3-(2-tert-butyl-4-methylphenyl)pyridine is Cc1ccc(-c2cccnc2)c(C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butyl-4-methylphenyl)pyridine?
The InChIKey is OHRWVVZACUYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-7-8-14(13-6-5-9-17-11-13)15(10-12)16(2,3)4/h5-11H,1-4H3.
What are the key properties of 3-(2-tert-butyl-4-methylphenyl)pyridine?
3-(2-tert-butyl-4-methylphenyl)pyridine has a molecular weight of 225.34 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-methylphenyl)pyridine is sourced from PubChem (CID 130318628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).