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

C7H6BrF3N2O — CID 130089420

IUPAC[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(OC(F)(F)F)nc1Br
InChIInChI=1S/C7H6BrF3N2O/c8-6-4(3-12)1-2-5(13-6)14-7(9,10)11/h1-2H,3,12H2
InChIKeyBDWQSFZZSWPWDW-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.20
Rot. Bonds2

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

[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130089420) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130089420
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(OC(F)(F)F)nc1Br
InChIInChI=1S/C7H6BrF3N2O/c8-6-4(3-12)1-2-5(13-6)14-7(9,10)11/h1-2H,3,12H2
InChIKeyBDWQSFZZSWPWDW-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.20
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-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093233
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
5-(aminomethyl)-6-bromo-2-(trifluoromethoxy)pyridin-3-amine
CID 131631616
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130089416
3-(chloromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine
CID 130092145
6-(trifluoromethoxy)pyridine-2,3-diamine
CID 118991615
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095088
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130089420) is [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1ccc(OC(F)(F)F)nc1Br.
What is the InChIKey of [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is BDWQSFZZSWPWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c8-6-4(3-12)1-2-5(13-6)14-7(9,10)11/h1-2H,3,12H2.
What are the key properties of [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 271.04 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130089420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).