[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H6F3IN2O — CID 118803142

IUPAC[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncc(OC(F)(F)F)cc1I
InChIInChI=1S/C7H6F3IN2O/c8-7(9,10)14-4-1-5(11)6(2-12)13-3-4/h1,3H,2,12H2
InChIKeyMQOQBUWKDDGYMA-UHFFFAOYSA-N
MW318.04 g/mol
LogP2.04
Rot. Bonds2

About [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine

[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118803142) has the molecular formula C7H6F3IN2O and a molecular weight of 318.04 g/mol. Its IUPAC name is [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118803142
Molecular FormulaC7H6F3IN2O
Molecular Weight318.04 g/mol
Exact Mass317.95
IUPAC Name[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncc(OC(F)(F)F)cc1I
InChIInChI=1S/C7H6F3IN2O/c8-7(9,10)14-4-1-5(11)6(2-12)13-3-4/h1,3H,2,12H2
InChIKeyMQOQBUWKDDGYMA-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
CID 130089434
methyl 2-[6-(aminomethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679834
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
5-(trifluoromethoxy)pyrimidin-2-amine
CID 138532683
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118820077
ethyl 2-[3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666934
methyl 6-(chloromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667015
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723

Frequently Asked Questions

What is the IUPAC name of [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118803142) is [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1ncc(OC(F)(F)F)cc1I.
What is the InChIKey of [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is MQOQBUWKDDGYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O/c8-7(9,10)14-4-1-5(11)6(2-12)13-3-4/h1,3H,2,12H2.
What are the key properties of [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
[3-iodo-5-(trifluoromethoxy)-2-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 [3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).