[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine

C7H5Br2F3N2O — CID 130093645

IUPAC[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)nc(Br)c1Br
InChIInChI=1S/C7H5Br2F3N2O/c8-5-3(2-13)1-4(14-6(5)9)15-7(10,11)12/h1H,2,13H2
InChIKeyQQBMDUUKWAERIT-UHFFFAOYSA-N
MW349.93 g/mol
LogP2.96
Rot. Bonds2

About [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine

[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 130093645) has the molecular formula C7H5Br2F3N2O and a molecular weight of 349.93 g/mol. Its IUPAC name is [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID130093645
Molecular FormulaC7H5Br2F3N2O
Molecular Weight349.93 g/mol
Exact Mass347.87
IUPAC Name[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)nc(Br)c1Br
InChIInChI=1S/C7H5Br2F3N2O/c8-5-3(2-13)1-4(14-6(5)9)15-7(10,11)12/h1H,2,13H2
InChIKeyQQBMDUUKWAERIT-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-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
5-(aminomethyl)-6-bromo-2-(trifluoromethoxy)pyridin-3-amine
CID 131631616
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172

Frequently Asked Questions

What is the IUPAC name of [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 130093645) is [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1cc(OC(F)(F)F)nc(Br)c1Br.
What is the InChIKey of [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is QQBMDUUKWAERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F3N2O/c8-5-3(2-13)1-4(14-6(5)9)15-7(10,11)12/h1H,2,13H2.
What are the key properties of [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
[2,3-dibromo-6-(trifluoromethoxy)-4-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 [2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 130093645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).