3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine

C7H7F3IN3O — CID 131601200

IUPAC3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
SMILESNCc1c(N)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-5-1-4(13)3(2-12)6(11)14-5/h1H,2,12H2,(H2,13,14)
InChIKeyQELBGMBUFXODNA-UHFFFAOYSA-N
MW333.05 g/mol
LogP1.63
Rot. Bonds2

About 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine

3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine (PubChem CID 131601200) has the molecular formula C7H7F3IN3O and a molecular weight of 333.05 g/mol. Its IUPAC name is 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
PubChem CID131601200
Molecular FormulaC7H7F3IN3O
Molecular Weight333.05 g/mol
Exact Mass332.96
IUPAC Name3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
SMILESNCc1c(N)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-5-1-4(13)3(2-12)6(11)14-5/h1H,2,12H2,(H2,13,14)
InChIKeyQELBGMBUFXODNA-UHFFFAOYSA-N
XLogP1.63
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118850873
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130092413
3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112748
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131266022

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine (CID 131601200) is 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine is NCc1c(N)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is QELBGMBUFXODNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3IN3O/c8-7(9,10)15-5-1-4(13)3(2-12)6(11)14-5/h1H,2,12H2,(H2,13,14).
What are the key properties of 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine?
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 333.05 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 131601200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).