[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine

C7H5BrF4N2O — CID 131571676

IUPAC[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1c(OC(F)(F)F)cnc(F)c1Br
InChIInChI=1S/C7H5BrF4N2O/c8-5-3(1-13)4(2-14-6(5)9)15-7(10,11)12/h2H,1,13H2
InChIKeyZOGYRPYZJNJPSA-UHFFFAOYSA-N
MW289.03 g/mol
LogP2.34
Rot. Bonds2

About [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine

[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 131571676) has the molecular formula C7H5BrF4N2O and a molecular weight of 289.03 g/mol. Its IUPAC name is [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID131571676
Molecular FormulaC7H5BrF4N2O
Molecular Weight289.03 g/mol
Exact Mass287.95
IUPAC Name[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1c(OC(F)(F)F)cnc(F)c1Br
InChIInChI=1S/C7H5BrF4N2O/c8-5-3(1-13)4(2-14-6(5)9)15-7(10,11)12/h2H,1,13H2
InChIKeyZOGYRPYZJNJPSA-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 52.34
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

[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
2-[2-fluoro-3-(fluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134659660
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118818649
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 131571676) is [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1c(OC(F)(F)F)cnc(F)c1Br.
What is the InChIKey of [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is ZOGYRPYZJNJPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF4N2O/c8-5-3(1-13)4(2-14-6(5)9)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine?
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 289.03 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 131571676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).