[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H5F5N2O — CID 130094304

IUPAC[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncc(F)c(OC(F)(F)F)c1F
InChIInChI=1S/C7H5F5N2O/c8-3-2-14-4(1-13)5(9)6(3)15-7(10,11)12/h2H,1,13H2
InChIKeyDAFDDUHZKQNYLX-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.72
Rot. Bonds2

About [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine

[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 130094304) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID130094304
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncc(F)c(OC(F)(F)F)c1F
InChIInChI=1S/C7H5F5N2O/c8-3-2-14-4(1-13)5(9)6(3)15-7(10,11)12/h2H,1,13H2
InChIKeyDAFDDUHZKQNYLX-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

Analyze [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
5-fluoro-2-(fluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134680128
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
CID 130099744
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 130094304) is [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1ncc(F)c(OC(F)(F)F)c1F.
What is the InChIKey of [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is DAFDDUHZKQNYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-3-2-14-4(1-13)5(9)6(3)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
[3,5-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 [3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 130094304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).