5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine

C16H18BrNO — CID 63463834

IUPAC5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(Br)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C16H18BrNO/c1-11-5-7-14(13(9-11)16(2,3)4)19-15-8-6-12(17)10-18-15/h5-10H,1-4H3
InChIKeyCQIMAWYSXHPKDG-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.24
Rot. Bonds2

About 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine

5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine (PubChem CID 63463834) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
PubChem CID63463834
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(Br)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C16H18BrNO/c1-11-5-7-14(13(9-11)16(2,3)4)19-15-8-6-12(17)10-18-15/h5-10H,1-4H3
InChIKeyCQIMAWYSXHPKDG-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine
CID 80664283
2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
CID 168963794
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
4-bromo-2-(2-tert-butyl-4-methylphenoxy)benzonitrile
CID 114902345
6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446405
5-bromo-2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzonitrile
CID 20987774
2-(2-tert-butyl-4-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727805
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
5-tert-butyl-2-(2-tert-butylphenoxy)pyridine
CID 59734455
3-(2-tert-butyl-4-methylphenoxy)pyrazine-2-carbonitrile
CID 62685224
[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
CID 62674098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine?
The IUPAC name of 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine (CID 63463834) is 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine?
The canonical SMILES for 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine is Cc1ccc(Oc2ccc(Br)cn2)c(C(C)(C)C)c1.
What is the InChIKey of 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine?
The InChIKey is CQIMAWYSXHPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-5-7-14(13(9-11)16(2,3)4)19-15-8-6-12(17)10-18-15/h5-10H,1-4H3.
What are the key properties of 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine?
5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine has a molecular weight of 320.23 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine is sourced from PubChem (CID 63463834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).