3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine

C12H8BrCl2NO — CID 114837551

IUPAC3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
SMILESCc1cc(Cl)ccc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C12H8BrCl2NO/c1-7-4-8(14)2-3-11(7)17-12-10(13)5-9(15)6-16-12/h2-6H,1H3
InChIKeyRDHYZWWGBWMTKO-UHFFFAOYSA-N
MW333.01 g/mol
LogP5.25
Rot. Bonds2

About 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine

3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine (PubChem CID 114837551) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
PubChem CID114837551
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
SMILESCc1cc(Cl)ccc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C12H8BrCl2NO/c1-7-4-8(14)2-3-11(7)17-12-10(13)5-9(15)6-16-12/h2-6H,1H3
InChIKeyRDHYZWWGBWMTKO-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

3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
CID 114837638
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
8-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 114837621
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
5-amino-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzonitrile
CID 114836190
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine?
The IUPAC name of 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine (CID 114837551) is 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine is Cc1cc(Cl)ccc1Oc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine?
The InChIKey is RDHYZWWGBWMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c1-7-4-8(14)2-3-11(7)17-12-10(13)5-9(15)6-16-12/h2-6H,1H3.
What are the key properties of 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine?
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine 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 3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine is sourced from PubChem (CID 114837551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).