2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine

C12H8BrCl2NO — CID 107284494

IUPAC2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
SMILESCc1ccc(Br)cc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8BrCl2NO/c1-7-2-3-8(13)4-11(7)17-12-10(15)5-9(14)6-16-12/h2-6H,1H3
InChIKeyWHVQOTISVNBFAW-UHFFFAOYSA-N
MW333.01 g/mol
LogP5.25
Rot. Bonds2

About 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine

2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine (PubChem CID 107284494) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
PubChem CID107284494
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
SMILESCc1ccc(Br)cc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8BrCl2NO/c1-7-2-3-8(13)4-11(7)17-12-10(15)5-9(14)6-16-12/h2-6H,1H3
InChIKeyWHVQOTISVNBFAW-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.01
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
CID 114046402
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107285585
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine (CID 107284494) is 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine is Cc1ccc(Br)cc1Oc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine?
The InChIKey is WHVQOTISVNBFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c1-7-2-3-8(13)4-11(7)17-12-10(15)5-9(14)6-16-12/h2-6H,1H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine?
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine has a molecular weight of 333.01 g/mol, XLogP of 5.25, 2 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)-3,5-dichloropyridine is sourced from PubChem (CID 107284494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).