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

C7H4F5IN2 — CID 118999966

IUPAC5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(I)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H4F5IN2/c8-4(9)2-1-3(7(10,11)12)6(14)15-5(2)13/h1,4H,(H2,14,15)
InChIKeyZNXMENJPRRSMEN-UHFFFAOYSA-N
MW338.02 g/mol
LogP3.22
Rot. Bonds1

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

5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 118999966) has the molecular formula C7H4F5IN2 and a molecular weight of 338.02 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
PubChem CID118999966
Molecular FormulaC7H4F5IN2
Molecular Weight338.02 g/mol
Exact Mass337.93
IUPAC Name5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(I)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H4F5IN2/c8-4(9)2-1-3(7(10,11)12)6(14)15-5(2)13/h1,4H,(H2,14,15)
InChIKeyZNXMENJPRRSMEN-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.02
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-(difluoromethyl)-6-iodopyridine-2,3-diamine
CID 118990847
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 119019065
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
2-chloro-3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine
CID 119007178
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
5-chloro-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 119006864
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine (CID 118999966) is 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine is Nc1nc(I)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZNXMENJPRRSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5IN2/c8-4(9)2-1-3(7(10,11)12)6(14)15-5(2)13/h1,4H,(H2,14,15).
What are the key properties of 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 338.02 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118999966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).