5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine

C9H10BrF3N2O — CID 104507370

IUPAC5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
SMILESCc1c(N)cnc(OC(C)C(F)(F)F)c1Br
InChIInChI=1S/C9H10BrF3N2O/c1-4-6(14)3-15-8(7(4)10)16-5(2)9(11,12)13/h3,5H,14H2,1-2H3
InChIKeyLXWZOKNJPJPUMS-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine

5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine (PubChem CID 104507370) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
PubChem CID104507370
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
SMILESCc1c(N)cnc(OC(C)C(F)(F)F)c1Br
InChIInChI=1S/C9H10BrF3N2O/c1-4-6(14)3-15-8(7(4)10)16-5(2)9(11,12)13/h3,5H,14H2,1-2H3
InChIKeyLXWZOKNJPJPUMS-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 103583728
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
5-bromo-6-cyclopentyloxy-4-methylpyridin-3-amine
CID 104507203
[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine
CID 66274656
5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine
CID 104507374
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104507226
5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
CID 66276281
5-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
CID 80877300
5-bromo-4,6-dimethylpyridin-3-amine
CID 7060666
4-(1,1,1-trifluoropropan-2-yloxy)quinolin-3-amine
CID 113359456
5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol
CID 58042457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine (CID 104507370) is 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine is Cc1c(N)cnc(OC(C)C(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
The InChIKey is LXWZOKNJPJPUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c1-4-6(14)3-15-8(7(4)10)16-5(2)9(11,12)13/h3,5H,14H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine?
5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine has a molecular weight of 299.09 g/mol, XLogP of 3.06, 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-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine is sourced from PubChem (CID 104507370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).