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

C6H4F3IN2O — CID 130089023

IUPAC5-iodo-4-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cncc(I)c1OC(F)(F)F
InChIInChI=1S/C6H4F3IN2O/c7-6(8,9)13-5-3(10)1-12-2-4(5)11/h1-2H,11H2
InChIKeyKXYVTMIEMVYEDM-UHFFFAOYSA-N
MW304.01 g/mol
LogP2.17
Rot. Bonds1

About 5-iodo-4-(trifluoromethoxy)pyridin-3-amine

5-iodo-4-(trifluoromethoxy)pyridin-3-amine (PubChem CID 130089023) has the molecular formula C6H4F3IN2O and a molecular weight of 304.01 g/mol. Its IUPAC name is 5-iodo-4-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-iodo-4-(trifluoromethoxy)pyridin-3-amine
PubChem CID130089023
Molecular FormulaC6H4F3IN2O
Molecular Weight304.01 g/mol
Exact Mass303.93
IUPAC Name5-iodo-4-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cncc(I)c1OC(F)(F)F
InChIInChI=1S/C6H4F3IN2O/c7-6(8,9)13-5-3(10)1-12-2-4(5)11/h1-2H,11H2
InChIKeyKXYVTMIEMVYEDM-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

3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 130092435
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073
5-iodopyridine-3,4-diamine
CID 104509140
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-iodo-4-(trifluoromethoxy)pyridin-3-amine (CID 130089023) is 5-iodo-4-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-iodo-4-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-iodo-4-(trifluoromethoxy)pyridin-3-amine is Nc1cncc(I)c1OC(F)(F)F.
What is the InChIKey of 5-iodo-4-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is KXYVTMIEMVYEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2O/c7-6(8,9)13-5-3(10)1-12-2-4(5)11/h1-2H,11H2.
What are the key properties of 5-iodo-4-(trifluoromethoxy)pyridin-3-amine?
5-iodo-4-(trifluoromethoxy)pyridin-3-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 5-iodo-4-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 130089023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).