5-bromo-2-(4-bromophenoxy)-3-methylpyridine

C12H9Br2NO — CID 79713445

IUPAC5-bromo-2-(4-bromophenoxy)-3-methylpyridine
SMILESCc1cc(Br)cnc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H9Br2NO/c1-8-6-10(14)7-15-12(8)16-11-4-2-9(13)3-5-11/h2-7H,1H3
InChIKeyCWLPSZHYNSPDQD-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.71
Rot. Bonds2

About 5-bromo-2-(4-bromophenoxy)-3-methylpyridine

5-bromo-2-(4-bromophenoxy)-3-methylpyridine (PubChem CID 79713445) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 5-bromo-2-(4-bromophenoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(4-bromophenoxy)-3-methylpyridine
PubChem CID79713445
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name5-bromo-2-(4-bromophenoxy)-3-methylpyridine
SMILESCc1cc(Br)cnc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H9Br2NO/c1-8-6-10(14)7-15-12(8)16-11-4-2-9(13)3-5-11/h2-7H,1H3
InChIKeyCWLPSZHYNSPDQD-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
CID 116793296
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103568126
5-bromo-3-chloro-2-(4-iodophenoxy)pyridine
CID 103582296
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
CID 107743821
4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 79717904
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
3,5-dimethyl-2-(4-prop-1-en-2-ylphenoxy)pyridine
CID 167495897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromophenoxy)-3-methylpyridine?
The IUPAC name of 5-bromo-2-(4-bromophenoxy)-3-methylpyridine (CID 79713445) is 5-bromo-2-(4-bromophenoxy)-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-(4-bromophenoxy)-3-methylpyridine?
The canonical SMILES for 5-bromo-2-(4-bromophenoxy)-3-methylpyridine is Cc1cc(Br)cnc1Oc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-2-(4-bromophenoxy)-3-methylpyridine?
The InChIKey is CWLPSZHYNSPDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c1-8-6-10(14)7-15-12(8)16-11-4-2-9(13)3-5-11/h2-7H,1H3.
What are the key properties of 5-bromo-2-(4-bromophenoxy)-3-methylpyridine?
5-bromo-2-(4-bromophenoxy)-3-methylpyridine has a molecular weight of 343.02 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromophenoxy)-3-methylpyridine is sourced from PubChem (CID 79713445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).