[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine

C8H8F3IN2O2 — CID 118807180

IUPAC[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCOc1c(CN)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H8F3IN2O2/c1-15-6-4(3-13)2-5(14-7(6)12)16-8(9,10)11/h2H,3,13H2,1H3
InChIKeyLDFAJRDECFNYDM-UHFFFAOYSA-N
MW348.06 g/mol
LogP2.05
Rot. Bonds3

About [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine

[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 118807180) has the molecular formula C8H8F3IN2O2 and a molecular weight of 348.06 g/mol. Its IUPAC name is [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID118807180
Molecular FormulaC8H8F3IN2O2
Molecular Weight348.06 g/mol
Exact Mass347.96
IUPAC Name[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCOc1c(CN)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H8F3IN2O2/c1-15-6-4(3-13)2-5(14-7(6)12)16-8(9,10)11/h2H,3,13H2,1H3
InChIKeyLDFAJRDECFNYDM-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

[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656

Frequently Asked Questions

What is the IUPAC name of [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 118807180) is [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine is COc1c(CN)cc(OC(F)(F)F)nc1I.
What is the InChIKey of [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is LDFAJRDECFNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O2/c1-15-6-4(3-13)2-5(14-7(6)12)16-8(9,10)11/h2H,3,13H2,1H3.
What are the key properties of [2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-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-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 118807180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).