[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine

C7H5Br2F3N2O — CID 130093650

IUPAC[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1c(Br)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H5Br2F3N2O/c8-5-3(1-13)6(9)14-2-4(5)15-7(10,11)12/h2H,1,13H2
InChIKeyDPDHUKRZEJJESZ-UHFFFAOYSA-N
MW349.93 g/mol
LogP2.96
Rot. Bonds2

About [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine

[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130093650) has the molecular formula C7H5Br2F3N2O and a molecular weight of 349.93 g/mol. Its IUPAC name is [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130093650
Molecular FormulaC7H5Br2F3N2O
Molecular Weight349.93 g/mol
Exact Mass347.87
IUPAC Name[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1c(Br)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H5Br2F3N2O/c8-5-3(1-13)6(9)14-2-4(5)15-7(10,11)12/h2H,1,13H2
InChIKeyDPDHUKRZEJJESZ-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030

Frequently Asked Questions

What is the IUPAC name of [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130093650) is [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1c(Br)ncc(OC(F)(F)F)c1Br.
What is the InChIKey of [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is DPDHUKRZEJJESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F3N2O/c8-5-3(1-13)6(9)14-2-4(5)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 349.93 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130093650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).