3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine

C7H4F6N2O — CID 118823425

IUPAC3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
SMILESNc1cc(OC(F)(F)F)nc(F)c1C(F)F
InChIInChI=1S/C7H4F6N2O/c8-5(9)4-2(14)1-3(15-6(4)10)16-7(11,12)13/h1,5H,(H2,14,15)
InChIKeyAPHOMVNMUSUHLB-UHFFFAOYSA-N
MW246.11 g/mol
LogP2.64
Rot. Bonds2

About 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine

3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118823425) has the molecular formula C7H4F6N2O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
PubChem CID118823425
Molecular FormulaC7H4F6N2O
Molecular Weight246.11 g/mol
Exact Mass246.02
IUPAC Name3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
SMILESNc1cc(OC(F)(F)F)nc(F)c1C(F)F
InChIInChI=1S/C7H4F6N2O/c8-5(9)4-2(14)1-3(15-6(4)10)16-7(11,12)13/h1,5H,(H2,14,15)
InChIKeyAPHOMVNMUSUHLB-UHFFFAOYSA-N
XLogP2.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 52.64
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

3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 118806656
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 119000437
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647
2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 130094224
2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine (CID 118823425) is 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine is Nc1cc(OC(F)(F)F)nc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is APHOMVNMUSUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2O/c8-5(9)4-2(14)1-3(15-6(4)10)16-7(11,12)13/h1,5H,(H2,14,15).
What are the key properties of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine?
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 246.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118823425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).