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

C12H8BrClFNO — CID 106878109

IUPAC3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
SMILESCc1ccnc(Oc2cccc(Cl)c2F)c1Br
InChIInChI=1S/C12H8BrClFNO/c1-7-5-6-16-12(10(7)13)17-9-4-2-3-8(14)11(9)15/h2-6H,1H3
InChIKeyCKSJATXMMTYZCL-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.74
Rot. Bonds2

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

3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine (PubChem CID 106878109) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
PubChem CID106878109
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
SMILESCc1ccnc(Oc2cccc(Cl)c2F)c1Br
InChIInChI=1S/C12H8BrClFNO/c1-7-5-6-16-12(10(7)13)17-9-4-2-3-8(14)11(9)15/h2-6H,1H3
InChIKeyCKSJATXMMTYZCL-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 116688640
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406
3-bromo-2-(2-iodophenoxy)-4-methylpyridine
CID 106875361
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
CID 116689002
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 116689023
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine (CID 106878109) is 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine is Cc1ccnc(Oc2cccc(Cl)c2F)c1Br.
What is the InChIKey of 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine?
The InChIKey is CKSJATXMMTYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c1-7-5-6-16-12(10(7)13)17-9-4-2-3-8(14)11(9)15/h2-6H,1H3.
What are the key properties of 3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine?
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine has a molecular weight of 316.56 g/mol, XLogP of 4.74, 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-chloro-2-fluorophenoxy)-4-methylpyridine is sourced from PubChem (CID 106878109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).