[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine

C7H6F3IN2 — CID 130849064

IUPAC[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)(F)F)c(I)cn1
InChIInChI=1S/C7H6F3IN2/c8-7(9,10)5-1-4(2-12)13-3-6(5)11/h1,3H,2,12H2
InChIKeyQAAJPAFVWXGOEA-UHFFFAOYSA-N
MW302.04 g/mol
LogP2.16
Rot. Bonds1

About [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine

[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 130849064) has the molecular formula C7H6F3IN2 and a molecular weight of 302.04 g/mol. Its IUPAC name is [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID130849064
Molecular FormulaC7H6F3IN2
Molecular Weight302.04 g/mol
Exact Mass301.95
IUPAC Name[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)(F)F)c(I)cn1
InChIInChI=1S/C7H6F3IN2/c8-7(9,10)5-1-4(2-12)13-3-6(5)11/h1,3H,2,12H2
InChIKeyQAAJPAFVWXGOEA-UHFFFAOYSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.04
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine (CID 130849064) is [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine is NCc1cc(C(F)(F)F)c(I)cn1.
What is the InChIKey of [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is QAAJPAFVWXGOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2/c8-7(9,10)5-1-4(2-12)13-3-6(5)11/h1,3H,2,12H2.
What are the key properties of [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine?
[5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 302.04 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 130849064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).