2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine

C7H7BrF3N3O — CID 131521300

IUPAC2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1nc(OC(F)(F)F)cc(Br)c1N
InChIInChI=1S/C7H7BrF3N3O/c8-3-1-5(15-7(9,10)11)14-4(2-12)6(3)13/h1H,2,12-13H2
InChIKeyBRDBJODXWNJLTE-UHFFFAOYSA-N
MW286.05 g/mol
LogP1.78
Rot. Bonds2

About 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine

2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine (PubChem CID 131521300) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
PubChem CID131521300
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC Name2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1nc(OC(F)(F)F)cc(Br)c1N
InChIInChI=1S/C7H7BrF3N3O/c8-3-1-5(15-7(9,10)11)14-4(2-12)6(3)13/h1H,2,12-13H2
InChIKeyBRDBJODXWNJLTE-UHFFFAOYSA-N
XLogP1.78
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)pyridin-3-amine
CID 133086231
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118850873
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
5-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-2-amine
CID 131369755
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine (CID 131521300) is 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine is NCc1nc(OC(F)(F)F)cc(Br)c1N.
What is the InChIKey of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is BRDBJODXWNJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c8-3-1-5(15-7(9,10)11)14-4(2-12)6(3)13/h1H,2,12-13H2.
What are the key properties of 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine?
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 286.05 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 131521300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).