3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine

C16H17BrClNO — CID 114837638

IUPAC3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(17)8-12(18)9-19-15/h5-9H,1-4H3
InChIKeyUXMAXEKDHIIOLV-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.90
Rot. Bonds2

About 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine

3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine (PubChem CID 114837638) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine.

Molecular Properties

Compound Name3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
PubChem CID114837638
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(17)8-12(18)9-19-15/h5-9H,1-4H3
InChIKeyUXMAXEKDHIIOLV-UHFFFAOYSA-N
XLogP5.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
CID 79534852
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
8-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 114837621
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
5-amino-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzonitrile
CID 114836190
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
CID 61146941

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine?
The IUPAC name of 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine (CID 114837638) is 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine.
What is the SMILES notation for 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine?
The canonical SMILES for 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine is Cc1cc(C(C)(C)C)ccc1Oc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine?
The InChIKey is UXMAXEKDHIIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(17)8-12(18)9-19-15/h5-9H,1-4H3.
What are the key properties of 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine?
3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine has a molecular weight of 354.68 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine is sourced from PubChem (CID 114837638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).