[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine

C7H5F5N2O — CID 130094285

IUPAC[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(F)c(OC(F)(F)F)c1F
InChIInChI=1S/C7H5F5N2O/c8-4-3(1-13)2-14-6(9)5(4)15-7(10,11)12/h2H,1,13H2
InChIKeyBOIQSULSWUHRRC-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.72
Rot. Bonds2

About [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine

[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130094285) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130094285
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(F)c(OC(F)(F)F)c1F
InChIInChI=1S/C7H5F5N2O/c8-4-3(1-13)2-14-6(9)5(4)15-7(10,11)12/h2H,1,13H2
InChIKeyBOIQSULSWUHRRC-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

[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092090
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134672505
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249

Frequently Asked Questions

What is the IUPAC name of [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130094285) is [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cnc(F)c(OC(F)(F)F)c1F.
What is the InChIKey of [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is BOIQSULSWUHRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-4-3(1-13)2-14-6(9)5(4)15-7(10,11)12/h2H,1,13H2.
What are the key properties of [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4,6-difluoro-5-(trifluoromethoxy)-3-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 [4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130094285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).