5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine

C13H10BrF3N2O — CID 104507209

IUPAC5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESCc1c(N)cnc(Oc2ccccc2C(F)(F)F)c1Br
InChIInChI=1S/C13H10BrF3N2O/c1-7-9(18)6-19-12(11(7)14)20-10-5-3-2-4-8(10)13(15,16)17/h2-6H,18H2,1H3
InChIKeyGGCGRJGVBPPNSG-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.55
Rot. Bonds2

About 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine

5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 104507209) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID104507209
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESCc1c(N)cnc(Oc2ccccc2C(F)(F)F)c1Br
InChIInChI=1S/C13H10BrF3N2O/c1-7-9(18)6-19-12(11(7)14)20-10-5-3-2-4-8(10)13(15,16)17/h2-6H,18H2,1H3
InChIKeyGGCGRJGVBPPNSG-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102
5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 116688640
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 104507370
3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
CID 169249031
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104507226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 104507209) is 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine is Cc1c(N)cnc(Oc2ccccc2C(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is GGCGRJGVBPPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-7-9(18)6-19-12(11(7)14)20-10-5-3-2-4-8(10)13(15,16)17/h2-6H,18H2,1H3.
What are the key properties of 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine?
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 347.13 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 104507209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).