4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide

C14H15N3O2 — CID 63880691

IUPAC4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COc2ccccc2CO)ccn1
InChIInChI=1S/C14H15N3O2/c15-14(16)12-7-10(5-6-17-12)9-19-13-4-2-1-3-11(13)8-18/h1-7,18H,8-9H2,(H3,15,16)
InChIKeyOFYBEGGQOARMML-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.44
Rot. Bonds5

About 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide

4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide (PubChem CID 63880691) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
PubChem CID63880691
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COc2ccccc2CO)ccn1
InChIInChI=1S/C14H15N3O2/c15-14(16)12-7-10(5-6-17-12)9-19-13-4-2-1-3-11(13)8-18/h1-7,18H,8-9H2,(H3,15,16)
InChIKeyOFYBEGGQOARMML-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 115402332
4-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
CID 63881838

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide (CID 63880691) is 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COc2ccccc2CO)ccn1.
What is the InChIKey of 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide?
The InChIKey is OFYBEGGQOARMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14(16)12-7-10(5-6-17-12)9-19-13-4-2-1-3-11(13)8-18/h1-7,18H,8-9H2,(H3,15,16).
What are the key properties of 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide?
4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63880691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).