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

C12H8Br2FNO — CID 106875367

IUPAC3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
SMILESCc1ccnc(Oc2cc(F)cc(Br)c2)c1Br
InChIInChI=1S/C12H8Br2FNO/c1-7-2-3-16-12(11(7)14)17-10-5-8(13)4-9(15)6-10/h2-6H,1H3
InChIKeyHXZKSQWRLBDRNH-UHFFFAOYSA-N
MW361.01 g/mol
LogP4.85
Rot. Bonds2

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

3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine (PubChem CID 106875367) has the molecular formula C12H8Br2FNO and a molecular weight of 361.01 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
PubChem CID106875367
Molecular FormulaC12H8Br2FNO
Molecular Weight361.01 g/mol
Exact Mass358.90
IUPAC Name3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
SMILESCc1ccnc(Oc2cc(F)cc(Br)c2)c1Br
InChIInChI=1S/C12H8Br2FNO/c1-7-2-3-16-12(11(7)14)17-10-5-8(13)4-9(15)6-10/h2-6H,1H3
InChIKeyHXZKSQWRLBDRNH-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.01
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)pyridin-3-amine
CID 81322525
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
CID 81332179
4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
CID 104730236
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
CID 81326017
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine (CID 106875367) is 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine is Cc1ccnc(Oc2cc(F)cc(Br)c2)c1Br.
What is the InChIKey of 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine?
The InChIKey is HXZKSQWRLBDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO/c1-7-2-3-16-12(11(7)14)17-10-5-8(13)4-9(15)6-10/h2-6H,1H3.
What are the key properties of 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine?
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine has a molecular weight of 361.01 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine is sourced from PubChem (CID 106875367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).