4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine

C7H7BrF3N3O — CID 131521298

IUPAC4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(N)cnc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H7BrF3N3O/c8-5-3(1-12)4(13)2-14-6(5)15-7(9,10)11/h2H,1,12-13H2
InChIKeyFQCMSTZDMKBYTH-UHFFFAOYSA-N
MW286.05 g/mol
LogP1.78
Rot. Bonds2

About 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine

4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine (PubChem CID 131521298) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
PubChem CID131521298
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC Name4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(N)cnc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H7BrF3N3O/c8-5-3(1-12)4(13)2-14-6(5)15-7(9,10)11/h2H,1,12-13H2
InChIKeyFQCMSTZDMKBYTH-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

4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
3-bromo-2-(trifluoromethoxy)pyridin-4-amine
CID 130088966
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
5-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-2-amine
CID 131369755
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine (CID 131521298) is 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine is NCc1c(N)cnc(OC(F)(F)F)c1Br.
What is the InChIKey of 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is FQCMSTZDMKBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c8-5-3(1-12)4(13)2-14-6(5)15-7(9,10)11/h2H,1,12-13H2.
What are the key properties of 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine?
4-(aminomethyl)-5-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 4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 131521298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).