4-iodo-3-(trifluoromethoxy)pyridin-2-amine

C6H4F3IN2O — CID 119014421

IUPAC4-iodo-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nccc(I)c1OC(F)(F)F
InChIInChI=1S/C6H4F3IN2O/c7-6(8,9)13-4-3(10)1-2-12-5(4)11/h1-2H,(H2,11,12)
InChIKeyQBSDEZXRQCYZDK-UHFFFAOYSA-N
MW304.01 g/mol
LogP2.17
Rot. Bonds1

About 4-iodo-3-(trifluoromethoxy)pyridin-2-amine

4-iodo-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119014421) has the molecular formula C6H4F3IN2O and a molecular weight of 304.01 g/mol. Its IUPAC name is 4-iodo-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-iodo-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID119014421
Molecular FormulaC6H4F3IN2O
Molecular Weight304.01 g/mol
Exact Mass303.93
IUPAC Name4-iodo-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nccc(I)c1OC(F)(F)F
InChIInChI=1S/C6H4F3IN2O/c7-6(8,9)13-4-3(10)1-2-12-5(4)11/h1-2H,(H2,11,12)
InChIKeyQBSDEZXRQCYZDK-UHFFFAOYSA-N
XLogP2.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.01
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118833057
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
2-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812288
5-iodoisoquinolin-1-amine
CID 149377238
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
5-iodo-4-(trifluoromethoxy)pyridin-3-amine
CID 130089023
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
[3-iodo-2-(trifluoromethoxy)phenyl]hydrazine
CID 118813241
6-amino-4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119014102
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4-iodo-3-(trifluoromethoxy)pyridin-2-amine (CID 119014421) is 4-iodo-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4-iodo-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4-iodo-3-(trifluoromethoxy)pyridin-2-amine is Nc1nccc(I)c1OC(F)(F)F.
What is the InChIKey of 4-iodo-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is QBSDEZXRQCYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2O/c7-6(8,9)13-4-3(10)1-2-12-5(4)11/h1-2H,(H2,11,12).
What are the key properties of 4-iodo-3-(trifluoromethoxy)pyridin-2-amine?
4-iodo-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 304.01 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119014421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).