[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine

C7H5BrClF3N2O — CID 131465423

IUPAC[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(Br)nc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H5BrClF3N2O/c8-4-1-3(2-13)5(9)6(14-4)15-7(10,11)12/h1H,2,13H2
InChIKeyGEIYIFLPTFWASS-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.85
Rot. Bonds2

About [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine

[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 131465423) has the molecular formula C7H5BrClF3N2O and a molecular weight of 305.48 g/mol. Its IUPAC name is [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID131465423
Molecular FormulaC7H5BrClF3N2O
Molecular Weight305.48 g/mol
Exact Mass303.92
IUPAC Name[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(Br)nc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H5BrClF3N2O/c8-4-1-3(2-13)5(9)6(14-4)15-7(10,11)12/h1H,2,13H2
InChIKeyGEIYIFLPTFWASS-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.85
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

[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
5-(aminomethyl)-6-bromo-2-(trifluoromethoxy)pyridin-3-amine
CID 131631616
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131527479
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086177
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412

Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 131465423) is [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1cc(Br)nc(OC(F)(F)F)c1Cl.
What is the InChIKey of [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is GEIYIFLPTFWASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF3N2O/c8-4-1-3(2-13)5(9)6(14-4)15-7(10,11)12/h1H,2,13H2.
What are the key properties of [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 305.48 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 131465423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).