[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine

C8H8F3IN2O2 — CID 134666898

IUPAC[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCOc1nc(I)c(CN)cc1OC(F)(F)F
InChIInChI=1S/C8H8F3IN2O2/c1-15-7-5(16-8(9,10)11)2-4(3-13)6(12)14-7/h2H,3,13H2,1H3
InChIKeyVTIXNHMIDGAPGY-UHFFFAOYSA-N
MW348.06 g/mol
LogP2.05
Rot. Bonds3

About [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine

[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134666898) has the molecular formula C8H8F3IN2O2 and a molecular weight of 348.06 g/mol. Its IUPAC name is [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134666898
Molecular FormulaC8H8F3IN2O2
Molecular Weight348.06 g/mol
Exact Mass347.96
IUPAC Name[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCOc1nc(I)c(CN)cc1OC(F)(F)F
InChIInChI=1S/C8H8F3IN2O2/c1-15-7-5(16-8(9,10)11)2-4(3-13)6(12)14-7/h2H,3,13H2,1H3
InChIKeyVTIXNHMIDGAPGY-UHFFFAOYSA-N
XLogP2.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
[6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085661
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134661918
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134

Frequently Asked Questions

What is the IUPAC name of [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134666898) is [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine is COc1nc(I)c(CN)cc1OC(F)(F)F.
What is the InChIKey of [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is VTIXNHMIDGAPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O2/c1-15-7-5(16-8(9,10)11)2-4(3-13)6(12)14-7/h2H,3,13H2,1H3.
What are the key properties of [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 348.06 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134666898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).