5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine

C7H6F5N3O — CID 118806656

IUPAC5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
SMILESNc1cc(N)c(C(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C7H6F5N3O/c8-5(9)4-2(13)1-3(14)15-6(4)16-7(10,11)12/h1,5H,(H4,13,14,15)
InChIKeyBXEPIOINVCXJDK-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.08
Rot. Bonds2

About 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine

5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine (PubChem CID 118806656) has the molecular formula C7H6F5N3O and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
PubChem CID118806656
Molecular FormulaC7H6F5N3O
Molecular Weight243.13 g/mol
Exact Mass243.04
IUPAC Name5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
SMILESNc1cc(N)c(C(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C7H6F5N3O/c8-5(9)4-2(13)1-3(14)15-6(4)16-7(10,11)12/h1,5H,(H4,13,14,15)
InChIKeyBXEPIOINVCXJDK-UHFFFAOYSA-N
XLogP2.08
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118834949
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
5-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-2-amine
CID 131369755
5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
CID 118822184
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118851166
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine?
The IUPAC name of 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine (CID 118806656) is 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine.
What is the SMILES notation for 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine?
The canonical SMILES for 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine is Nc1cc(N)c(C(F)F)c(OC(F)(F)F)n1.
What is the InChIKey of 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine?
The InChIKey is BXEPIOINVCXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5N3O/c8-5(9)4-2(13)1-3(14)15-6(4)16-7(10,11)12/h1,5H,(H4,13,14,15).
What are the key properties of 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine?
5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine has a molecular weight of 243.13 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine is sourced from PubChem (CID 118806656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).