2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride

C7H8ClN3O — CID 141168429

IUPAC2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(=O)c1cccnc1
InChIInChI=1S/C7H7N3O.ClH/c8-7(9)6(11)5-2-1-3-10-4-5;/h1-4H,(H3,8,9);1H
InChIKeyIEWQPGPSAOVLNN-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.62
Rot. Bonds2

About 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride

2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride (PubChem CID 141168429) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
PubChem CID141168429
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(=O)c1cccnc1
InChIInChI=1S/C7H7N3O.ClH/c8-7(9)6(11)5-2-1-3-10-4-5;/h1-4H,(H3,8,9);1H
InChIKeyIEWQPGPSAOVLNN-UHFFFAOYSA-N
XLogP0.62
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.62
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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Related Compounds

1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
CID 131854915
CID 131854915
2-amino-3-methylsulfanyl-1-pyridin-3-ylprop-2-en-1-one
CID 174924357
2,3-dioxo-3-pyridin-3-ylpropanoic acid
CID 83529828
oxalic acid;pyridine-3-carboxamide
CID 69110411
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 18382168
potassium;ethene;pyridine-3-carboxamide
CID 174767244

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride?
The IUPAC name of 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride (CID 141168429) is 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride.
What is the SMILES notation for 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride?
The canonical SMILES for 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(=O)c1cccnc1.
What is the InChIKey of 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride?
The InChIKey is IEWQPGPSAOVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.ClH/c8-7(9)6(11)5-2-1-3-10-4-5;/h1-4H,(H3,8,9);1H.
What are the key properties of 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride?
2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride has a molecular weight of 185.61 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride is sourced from PubChem (CID 141168429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).