1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide

C9H12F3IN4O — CID 119118280

IUPAC1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(O)C(F)(F)F)Nc1ccccn1
InChIInChI=1S/C9H11F3N4O.HI/c10-9(11,12)6(17)5-15-8(13)16-7-3-1-2-4-14-7;/h1-4,6,17H,5H2,(H3,13,14,15,16);1H
InChIKeyQFYFZRWZYSEEDC-UHFFFAOYSA-N
MW376.12 g/mol
LogP1.35
Rot. Bonds3

About 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide

1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide (PubChem CID 119118280) has the molecular formula C9H12F3IN4O and a molecular weight of 376.12 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
PubChem CID119118280
Molecular FormulaC9H12F3IN4O
Molecular Weight376.12 g/mol
Exact Mass376.00
IUPAC Name1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(O)C(F)(F)F)Nc1ccccn1
InChIInChI=1S/C9H11F3N4O.HI/c10-9(11,12)6(17)5-15-8(13)16-7-3-1-2-4-14-7;/h1-4,6,17H,5H2,(H3,13,14,15,16);1H
InChIKeyQFYFZRWZYSEEDC-UHFFFAOYSA-N
XLogP1.35
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide (CID 119118280) is 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide is I.N/C(=N\CC(O)C(F)(F)F)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
The InChIKey is QFYFZRWZYSEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O.HI/c10-9(11,12)6(17)5-15-8(13)16-7-3-1-2-4-14-7;/h1-4,6,17H,5H2,(H3,13,14,15,16);1H.
What are the key properties of 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide has a molecular weight of 376.12 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 119118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).