[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine

C7H6F3IN2O — CID 130092413

IUPAC[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(I)nc(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3IN2O/c8-7(9,10)14-6-2-4(3-12)1-5(11)13-6/h1-2H,3,12H2
InChIKeyMSSBIKQNBYAWJI-UHFFFAOYSA-N
MW318.04 g/mol
LogP2.04
Rot. Bonds2

About [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine

[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 130092413) has the molecular formula C7H6F3IN2O and a molecular weight of 318.04 g/mol. Its IUPAC name is [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID130092413
Molecular FormulaC7H6F3IN2O
Molecular Weight318.04 g/mol
Exact Mass317.95
IUPAC Name[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(I)nc(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3IN2O/c8-7(9,10)14-6-2-4(3-12)1-5(11)13-6/h1-2H,3,12H2
InChIKeyMSSBIKQNBYAWJI-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.04
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
3,4-difluoro-6-(trifluoromethoxy)pyridin-2-amine
CID 130094119
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 130094224
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300

Frequently Asked Questions

What is the IUPAC name of [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 130092413) is [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine is NCc1cc(I)nc(OC(F)(F)F)c1.
What is the InChIKey of [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is MSSBIKQNBYAWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O/c8-7(9,10)14-6-2-4(3-12)1-5(11)13-6/h1-2H,3,12H2.
What are the key properties of [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 318.04 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 130092413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).