3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide

C14H15N3O2 — CID 107712652

IUPAC3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1Oc1ccccc1CCO
InChIInChI=1S/C14H15N3O2/c15-14(16)11-5-7-17-9-13(11)19-12-4-2-1-3-10(12)6-8-18/h1-5,7,9,18H,6,8H2,(H3,15,16)
InChIKeyUQQYJIAKLDMORS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds5

About 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide

3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide (PubChem CID 107712652) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
PubChem CID107712652
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1Oc1ccccc1CCO
InChIInChI=1S/C14H15N3O2/c15-14(16)11-5-7-17-9-13(11)19-12-4-2-1-3-10(12)6-8-18/h1-5,7,9,18H,6,8H2,(H3,15,16)
InChIKeyUQQYJIAKLDMORS-UHFFFAOYSA-N
XLogP1.69
TPSA92.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107713784
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide (CID 107712652) is 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1Oc1ccccc1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide?
The InChIKey is UQQYJIAKLDMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14(16)11-5-7-17-9-13(11)19-12-4-2-1-3-10(12)6-8-18/h1-5,7,9,18H,6,8H2,(H3,15,16).
What are the key properties of 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide?
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 107712652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).