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

C6H4BrF3N2O — CID 130088966

IUPAC3-bromo-2-(trifluoromethoxy)pyridin-4-amine
SMILESNc1ccnc(OC(F)(F)F)c1Br
InChIInChI=1S/C6H4BrF3N2O/c7-4-3(11)1-2-12-5(4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKeyLWDCERCBUPERCO-UHFFFAOYSA-N
MW257.01 g/mol
LogP2.32
Rot. Bonds1

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

3-bromo-2-(trifluoromethoxy)pyridin-4-amine (PubChem CID 130088966) has the molecular formula C6H4BrF3N2O and a molecular weight of 257.01 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethoxy)pyridin-4-amine
PubChem CID130088966
Molecular FormulaC6H4BrF3N2O
Molecular Weight257.01 g/mol
Exact Mass255.95
IUPAC Name3-bromo-2-(trifluoromethoxy)pyridin-4-amine
SMILESNc1ccnc(OC(F)(F)F)c1Br
InChIInChI=1S/C6H4BrF3N2O/c7-4-3(11)1-2-12-5(4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKeyLWDCERCBUPERCO-UHFFFAOYSA-N
XLogP2.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.01
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
2-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812288
2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
CID 119010333
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
[4-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130093342
2-methoxy-3-(trifluoromethyl)pyridin-4-amine
CID 118806319
2-bromo-3-(trifluoromethyl)pyridin-4-amine
CID 118846163
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
4-(trifluoromethoxy)-1H-pyrrolo[3,2-c]pyridine
CID 130119816
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 3-bromo-2-(trifluoromethoxy)pyridin-4-amine (CID 130088966) is 3-bromo-2-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 3-bromo-2-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 3-bromo-2-(trifluoromethoxy)pyridin-4-amine is Nc1ccnc(OC(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is LWDCERCBUPERCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O/c7-4-3(11)1-2-12-5(4)13-6(8,9)10/h1-2H,(H2,11,12).
What are the key properties of 3-bromo-2-(trifluoromethoxy)pyridin-4-amine?
3-bromo-2-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 257.01 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 130088966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).