2-(hydroxymethyl)pyridine-3-carboximidamide

C7H9N3O — CID 22416551

IUPAC2-(hydroxymethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1CO
InChIInChI=1S/C7H9N3O/c8-7(9)5-2-1-3-10-6(5)4-11/h1-3,11H,4H2,(H3,8,9)
InChIKeyVSCHEWBWSSMFFU-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.14
Rot. Bonds2

About 2-(hydroxymethyl)pyridine-3-carboximidamide

2-(hydroxymethyl)pyridine-3-carboximidamide (PubChem CID 22416551) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(hydroxymethyl)pyridine-3-carboximidamide
PubChem CID22416551
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(hydroxymethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1CO
InChIInChI=1S/C7H9N3O/c8-7(9)5-2-1-3-10-6(5)4-11/h1-3,11H,4H2,(H3,8,9)
InChIKeyVSCHEWBWSSMFFU-UHFFFAOYSA-N
XLogP-0.14
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(hydroxymethyl)pyridine-3-carboximidamide (CID 22416551) is 2-(hydroxymethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(hydroxymethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(hydroxymethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1CO.
What is the InChIKey of 2-(hydroxymethyl)pyridine-3-carboximidamide?
The InChIKey is VSCHEWBWSSMFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(9)5-2-1-3-10-6(5)4-11/h1-3,11H,4H2,(H3,8,9).
What are the key properties of 2-(hydroxymethyl)pyridine-3-carboximidamide?
2-(hydroxymethyl)pyridine-3-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 22416551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).