5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine

C8H8BrF3N2O — CID 119013970

IUPAC5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
SMILESCc1cc(CBr)c(OC(F)(F)F)nc1N
InChIInChI=1S/C8H8BrF3N2O/c1-4-2-5(3-9)7(14-6(4)13)15-8(10,11)12/h2H,3H2,1H3,(H2,13,14)
InChIKeyXCUSPIXDOOJENN-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.77
Rot. Bonds2

About 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine

5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119013970) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
PubChem CID119013970
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
SMILESCc1cc(CBr)c(OC(F)(F)F)nc1N
InChIInChI=1S/C8H8BrF3N2O/c1-4-2-5(3-9)7(14-6(4)13)15-8(10,11)12/h2H,3H2,1H3,(H2,13,14)
InChIKeyXCUSPIXDOOJENN-UHFFFAOYSA-N
XLogP2.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine
CID 119004935
ethyl 5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134676575
5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134666693
5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130110887
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 131011038
5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679397
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
CID 130113330
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine (CID 119013970) is 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine is Cc1cc(CBr)c(OC(F)(F)F)nc1N.
What is the InChIKey of 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is XCUSPIXDOOJENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c1-4-2-5(3-9)7(14-6(4)13)15-8(10,11)12/h2H,3H2,1H3,(H2,13,14).
What are the key properties of 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine?
5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 285.06 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).