[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol

C8H8F3IN2O2 — CID 134665913

IUPAC[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNCc1c(OC(F)(F)F)cc(CO)nc1I
InChIInChI=1S/C8H8F3IN2O2/c9-8(10,11)16-6-1-4(3-15)14-7(12)5(6)2-13/h1,15H,2-3,13H2
InChIKeyHLOQMYMZOXCWJW-UHFFFAOYSA-N
MW348.06 g/mol
LogP1.54
Rot. Bonds3

About [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol

[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134665913) has the molecular formula C8H8F3IN2O2 and a molecular weight of 348.06 g/mol. Its IUPAC name is [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134665913
Molecular FormulaC8H8F3IN2O2
Molecular Weight348.06 g/mol
Exact Mass347.96
IUPAC Name[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNCc1c(OC(F)(F)F)cc(CO)nc1I
InChIInChI=1S/C8H8F3IN2O2/c9-8(10,11)16-6-1-4(3-15)14-7(12)5(6)2-13/h1,15H,2-3,13H2
InChIKeyHLOQMYMZOXCWJW-UHFFFAOYSA-N
XLogP1.54
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 51.54
H-Bond Donors ≤ 52
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

[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134677431
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665127
[2-iodo-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092403
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
2-[2-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134661419
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134665913) is [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol is NCc1c(OC(F)(F)F)cc(CO)nc1I.
What is the InChIKey of [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is HLOQMYMZOXCWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O2/c9-8(10,11)16-6-1-4(3-15)14-7(12)5(6)2-13/h1,15H,2-3,13H2.
What are the key properties of [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 348.06 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134665913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).