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

C8H8BrF3N2O — CID 119004935

IUPAC6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine
SMILESCc1cc(OC(F)(F)F)c(CBr)nc1N
InChIInChI=1S/C8H8BrF3N2O/c1-4-2-6(15-8(10,11)12)5(3-9)14-7(4)13/h2H,3H2,1H3,(H2,13,14)
InChIKeyQCAAHJKSEGKPER-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.77
Rot. Bonds2

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

6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119004935) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID119004935
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine
SMILESCc1cc(OC(F)(F)F)c(CBr)nc1N
InChIInChI=1S/C8H8BrF3N2O/c1-4-2-6(15-8(10,11)12)5(3-9)14-7(4)13/h2H,3H2,1H3,(H2,13,14)
InChIKeyQCAAHJKSEGKPER-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119013970
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine (CID 119004935) is 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine is Cc1cc(OC(F)(F)F)c(CBr)nc1N.
What is the InChIKey of 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is QCAAHJKSEGKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c1-4-2-6(15-8(10,11)12)5(3-9)14-7(4)13/h2H,3H2,1H3,(H2,13,14).
What are the key properties of 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine?
6-(bromomethyl)-3-methyl-5-(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 6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119004935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).