2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine

C7H4F5IN2 — CID 118812353

IUPAC2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c(C(F)(F)F)cnc(C(F)F)c1I
InChIInChI=1S/C7H4F5IN2/c8-6(9)5-3(13)4(14)2(1-15-5)7(10,11)12/h1,6H,(H2,14,15)
InChIKeyUKVVIZBGTGUUFZ-UHFFFAOYSA-N
MW338.02 g/mol
LogP3.22
Rot. Bonds1

About 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine

2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 118812353) has the molecular formula C7H4F5IN2 and a molecular weight of 338.02 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
PubChem CID118812353
Molecular FormulaC7H4F5IN2
Molecular Weight338.02 g/mol
Exact Mass337.93
IUPAC Name2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c(C(F)(F)F)cnc(C(F)F)c1I
InChIInChI=1S/C7H4F5IN2/c8-6(9)5-3(13)4(14)2(1-15-5)7(10,11)12/h1,6H,(H2,14,15)
InChIKeyUKVVIZBGTGUUFZ-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
4-amino-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 118823512
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
2-(difluoromethyl)-4-iodo-5-methylpyridin-3-amine
CID 130105197
3-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130070863

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine (CID 118812353) is 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine is Nc1c(C(F)(F)F)cnc(C(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is UKVVIZBGTGUUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5IN2/c8-6(9)5-3(13)4(14)2(1-15-5)7(10,11)12/h1,6H,(H2,14,15).
What are the key properties of 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine?
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-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 2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 118812353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).