4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine

C18H23N — CID 178179780

IUPAC4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)c1ccc(-c2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C18H23N/c1-13(2)14-6-8-15(9-7-14)17-12-16(10-11-19-17)18(3,4)5/h6-13H,1-5H3
InChIKeyMMKTVSHQOSEATA-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.17
Rot. Bonds2

About 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine

4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine (PubChem CID 178179780) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
PubChem CID178179780
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)c1ccc(-c2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C18H23N/c1-13(2)14-6-8-15(9-7-14)17-12-16(10-11-19-17)18(3,4)5/h6-13H,1-5H3
InChIKeyMMKTVSHQOSEATA-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 164797295
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
N-ethyl-2-(4-propan-2-ylphenyl)pyridin-4-amine
CID 102824735
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
CID 171461612
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
CID 59538629
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine (CID 178179780) is 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine is CC(C)c1ccc(-c2cc(C(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine?
The InChIKey is MMKTVSHQOSEATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)14-6-8-15(9-7-14)17-12-16(10-11-19-17)18(3,4)5/h6-13H,1-5H3.
What are the key properties of 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine?
4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine has a molecular weight of 253.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 178179780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).