[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H5F5N2O — CID 130094281

IUPAC[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)c(F)c(F)n1
InChIInChI=1S/C7H5F5N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H,2,13H2
InChIKeyJDKNXBZQZIHNAO-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.72
Rot. Bonds2

About [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine

[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 130094281) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID130094281
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OC(F)(F)F)c(F)c(F)n1
InChIInChI=1S/C7H5F5N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H,2,13H2
InChIKeyJDKNXBZQZIHNAO-UHFFFAOYSA-N
XLogP1.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.72
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-fluoro-6-(fluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680375
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680938
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913
[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118837036
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130110872
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130093865
[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092090

Frequently Asked Questions

What is the IUPAC name of [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 130094281) is [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1cc(OC(F)(F)F)c(F)c(F)n1.
What is the InChIKey of [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is JDKNXBZQZIHNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H,2,13H2.
What are the key properties of [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 228.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 130094281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).