2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine

C17H19BrClNO — CID 107285394

IUPAC2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine
SMILESCc1ccc(Br)cc1Oc1cc(CCl)cc(C(C)(C)C)n1
InChIInChI=1S/C17H19BrClNO/c1-11-5-6-13(18)9-14(11)21-16-8-12(10-19)7-15(20-16)17(2,3)4/h5-9H,10H2,1-4H3
InChIKeySKGNRFHGQWKETA-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.98
Rot. Bonds3

About 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine

2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine (PubChem CID 107285394) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine
PubChem CID107285394
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine
SMILESCc1ccc(Br)cc1Oc1cc(CCl)cc(C(C)(C)C)n1
InChIInChI=1S/C17H19BrClNO/c1-11-5-6-13(18)9-14(11)21-16-8-12(10-19)7-15(20-16)17(2,3)4/h5-9H,10H2,1-4H3
InChIKeySKGNRFHGQWKETA-UHFFFAOYSA-N
XLogP5.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689756
2-(4-bromophenoxy)-4-(chloromethyl)-1-methylbenzene
CID 105405984
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107283603
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439
2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564258
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine
CID 107170699
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine (CID 107285394) is 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine is Cc1ccc(Br)cc1Oc1cc(CCl)cc(C(C)(C)C)n1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine?
The InChIKey is SKGNRFHGQWKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-11-5-6-13(18)9-14(11)21-16-8-12(10-19)7-15(20-16)17(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine?
2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine has a molecular weight of 368.70 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-6-tert-butyl-4-(chloromethyl)pyridine is sourced from PubChem (CID 107285394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).