4-methoxypyridine-2-carboximidamide;hydrochloride

C7H10ClN3O — CID 53484939

IUPAC4-methoxypyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(OC)ccn1
InChIInChI=1S/C7H9N3O.ClH/c1-11-5-2-3-10-6(4-5)7(8)9;/h2-4H,1H3,(H3,8,9);1H
InChIKeyJOUDWIBACXLPIO-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.80
Rot. Bonds2

About 4-methoxypyridine-2-carboximidamide;hydrochloride

4-methoxypyridine-2-carboximidamide;hydrochloride (PubChem CID 53484939) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-methoxypyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methoxypyridine-2-carboximidamide;hydrochloride
PubChem CID53484939
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-methoxypyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(OC)ccn1
InChIInChI=1S/C7H9N3O.ClH/c1-11-5-2-3-10-6(4-5)7(8)9;/h2-4H,1H3,(H3,8,9);1H
InChIKeyJOUDWIBACXLPIO-UHFFFAOYSA-N
XLogP0.80
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.80
H-Bond Donors ≤ 52
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 4-methoxypyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 4-methoxypyridine-2-carboximidamide;hydrochloride (CID 53484939) is 4-methoxypyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-methoxypyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-methoxypyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(OC)ccn1.
What is the InChIKey of 4-methoxypyridine-2-carboximidamide;hydrochloride?
The InChIKey is JOUDWIBACXLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c1-11-5-2-3-10-6(4-5)7(8)9;/h2-4H,1H3,(H3,8,9);1H.
What are the key properties of 4-methoxypyridine-2-carboximidamide;hydrochloride?
4-methoxypyridine-2-carboximidamide;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 53484939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).