4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine

C20H26BrN — CID 135149052

IUPAC4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
SMILESCC(C)c1cc(C(C)C)c(-c2cc(Br)ccn2)c(C(C)C)c1
InChIInChI=1S/C20H26BrN/c1-12(2)15-9-17(13(3)4)20(18(10-15)14(5)6)19-11-16(21)7-8-22-19/h7-14H,1-6H3
InChIKeyJAUHLXTZJOLREB-UHFFFAOYSA-N
MW360.34 g/mol
LogP6.88
Rot. Bonds4

About 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine

4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine (PubChem CID 135149052) has the molecular formula C20H26BrN and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
PubChem CID135149052
Molecular FormulaC20H26BrN
Molecular Weight360.34 g/mol
Exact Mass359.12
IUPAC Name4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
SMILESCC(C)c1cc(C(C)C)c(-c2cc(Br)ccn2)c(C(C)C)c1
InChIInChI=1S/C20H26BrN/c1-12(2)15-9-17(13(3)4)20(18(10-15)14(5)6)19-11-16(21)7-8-22-19/h7-14H,1-6H3
InChIKeyJAUHLXTZJOLREB-UHFFFAOYSA-N
XLogP6.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
CID 132850801
4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine
CID 58442454
2-bromo-8-propan-2-ylphenazine
CID 119028481
(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
CID 124704586
4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
CID 171461612
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane
CID 101493330
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine?
The IUPAC name of 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine (CID 135149052) is 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine.
What is the SMILES notation for 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine?
The canonical SMILES for 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine is CC(C)c1cc(C(C)C)c(-c2cc(Br)ccn2)c(C(C)C)c1.
What is the InChIKey of 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine?
The InChIKey is JAUHLXTZJOLREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN/c1-12(2)15-9-17(13(3)4)20(18(10-15)14(5)6)19-11-16(21)7-8-22-19/h7-14H,1-6H3.
What are the key properties of 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine?
4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine has a molecular weight of 360.34 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine is sourced from PubChem (CID 135149052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).