[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine

C8H6F6N2O — CID 134666595

IUPAC[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(C(F)F)c(F)c1OC(F)(F)F
InChIInChI=1S/C8H6F6N2O/c9-4-5(7(10)11)16-2-3(1-15)6(4)17-8(12,13)14/h2,7H,1,15H2
InChIKeyDZAYTAWRLUCLOD-UHFFFAOYSA-N
MW260.14 g/mol
LogP2.52
Rot. Bonds3

About [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine

[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134666595) has the molecular formula C8H6F6N2O and a molecular weight of 260.14 g/mol. Its IUPAC name is [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134666595
Molecular FormulaC8H6F6N2O
Molecular Weight260.14 g/mol
Exact Mass260.04
IUPAC Name[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(C(F)F)c(F)c1OC(F)(F)F
InChIInChI=1S/C8H6F6N2O/c9-4-5(7(10)11)16-2-3(1-15)6(4)17-8(12,13)14/h2,7H,1,15H2
InChIKeyDZAYTAWRLUCLOD-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134672505
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134666595) is [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cnc(C(F)F)c(F)c1OC(F)(F)F.
What is the InChIKey of [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is DZAYTAWRLUCLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O/c9-4-5(7(10)11)16-2-3(1-15)6(4)17-8(12,13)14/h2,7H,1,15H2.
What are the key properties of [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 260.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134666595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).