3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine

C6H5F4N3O — CID 119000437

IUPAC3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
SMILESNc1cc(OC(F)(F)F)nc(N)c1F
InChIInChI=1S/C6H5F4N3O/c7-4-2(11)1-3(13-5(4)12)14-6(8,9)10/h1H,(H4,11,12,13)
InChIKeyNWBVOPUKYWSOMX-UHFFFAOYSA-N
MW211.12 g/mol
LogP1.28
Rot. Bonds1

About 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine

3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine (PubChem CID 119000437) has the molecular formula C6H5F4N3O and a molecular weight of 211.12 g/mol. Its IUPAC name is 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
PubChem CID119000437
Molecular FormulaC6H5F4N3O
Molecular Weight211.12 g/mol
Exact Mass211.04
IUPAC Name3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
SMILESNc1cc(OC(F)(F)F)nc(N)c1F
InChIInChI=1S/C6H5F4N3O/c7-4-2(11)1-3(13-5(4)12)14-6(8,9)10/h1H,(H4,11,12,13)
InChIKeyNWBVOPUKYWSOMX-UHFFFAOYSA-N
XLogP1.28
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-6-(trifluoromethoxy)pyridin-2-amine
CID 130094119
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
6-(trifluoromethoxy)pyridine-2,3-diamine
CID 118991615
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine?
The IUPAC name of 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine (CID 119000437) is 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine.
What is the SMILES notation for 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine?
The canonical SMILES for 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine is Nc1cc(OC(F)(F)F)nc(N)c1F.
What is the InChIKey of 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine?
The InChIKey is NWBVOPUKYWSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O/c7-4-2(11)1-3(13-5(4)12)14-6(8,9)10/h1H,(H4,11,12,13).
What are the key properties of 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine?
3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine has a molecular weight of 211.12 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine is sourced from PubChem (CID 119000437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).