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

C7H4F5IN2 — CID 119019065

IUPAC4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(I)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4F5IN2/c8-5(9)2-1-3(13)15-6(14)4(2)7(10,11)12/h1,5H,(H2,14,15)
InChIKeyALPQUXFILHDLPQ-UHFFFAOYSA-N
MW338.02 g/mol
LogP3.22
Rot. Bonds1

About 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine

4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 119019065) has the molecular formula C7H4F5IN2 and a molecular weight of 338.02 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
PubChem CID119019065
Molecular FormulaC7H4F5IN2
Molecular Weight338.02 g/mol
Exact Mass337.93
IUPAC Name4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(I)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4F5IN2/c8-5(9)2-1-3(13)15-6(14)4(2)7(10,11)12/h1,5H,(H2,14,15)
InChIKeyALPQUXFILHDLPQ-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

6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
5-(difluoromethyl)-6-iodopyridine-2,3-diamine
CID 118990847
4-(difluoromethyl)-2-fluoro-6-iodopyridin-3-amine
CID 130103860
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812592
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 119021073
2-(difluoromethyl)-6-methyl-3-(trifluoromethyl)pyridin-4-amine
CID 118828414
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
5-chloro-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 119006864

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine (CID 119019065) is 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine is Nc1nc(I)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ALPQUXFILHDLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5IN2/c8-5(9)2-1-3(13)15-6(14)4(2)7(10,11)12/h1,5H,(H2,14,15).
What are the key properties of 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine?
4-(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 4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119019065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).