3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine

C7H4F5IN2O — CID 119022211

IUPAC3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(I)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C7H4F5IN2O/c8-4(9)2-1-3(16-7(10,11)12)5(13)15-6(2)14/h1,4H,(H2,14,15)
InChIKeyKHGZLNJGXXPHTB-UHFFFAOYSA-N
MW354.02 g/mol
LogP3.10
Rot. Bonds2

About 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine

3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119022211) has the molecular formula C7H4F5IN2O and a molecular weight of 354.02 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID119022211
Molecular FormulaC7H4F5IN2O
Molecular Weight354.02 g/mol
Exact Mass353.93
IUPAC Name3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(I)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C7H4F5IN2O/c8-4(9)2-1-3(16-7(10,11)12)5(13)15-6(2)14/h1,4H,(H2,14,15)
InChIKeyKHGZLNJGXXPHTB-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.02
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119009809
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
5-chloro-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 119006864
4-(difluoromethyl)-3-fluoro-2-iodo-6-(trifluoromethoxy)pyridine
CID 118851432
3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
CID 134680703
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
CID 118823942
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-amine
CID 119019307
4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119006704
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
CID 134679264
5-(difluoromethyl)-6-iodopyridine-2,3-diamine
CID 118990847

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine (CID 119022211) is 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine is Nc1nc(I)c(OC(F)(F)F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is KHGZLNJGXXPHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5IN2O/c8-4(9)2-1-3(16-7(10,11)12)5(13)15-6(2)14/h1,4H,(H2,14,15).
What are the key properties of 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine?
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 354.02 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119022211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).