5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine

C12H9BrClFN2O — CID 116688640

IUPAC5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2cccc(Cl)c2F)c1Br
InChIInChI=1S/C12H9BrClFN2O/c1-6-8(16)5-17-12(10(6)13)18-9-4-2-3-7(14)11(9)15/h2-5H,16H2,1H3
InChIKeyCFWUGHKCDHZAFZ-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.32
Rot. Bonds2

About 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine

5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine (PubChem CID 116688640) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
PubChem CID116688640
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2cccc(Cl)c2F)c1Br
InChIInChI=1S/C12H9BrClFN2O/c1-6-8(16)5-17-12(10(6)13)18-9-4-2-3-7(14)11(9)15/h2-5H,16H2,1H3
InChIKeyCFWUGHKCDHZAFZ-UHFFFAOYSA-N
XLogP4.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
CID 116689002
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine (CID 116688640) is 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine is Cc1c(N)cnc(Oc2cccc(Cl)c2F)c1Br.
What is the InChIKey of 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine?
The InChIKey is CFWUGHKCDHZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-6-8(16)5-17-12(10(6)13)18-9-4-2-3-7(14)11(9)15/h2-5H,16H2,1H3.
What are the key properties of 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine?
5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine has a molecular weight of 331.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 116688640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).