N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate

C12H11N4O3- — CID 22353992

IUPACN'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
SMILESN/C(=N\O)c1cccnc1.O=C([O-])c1cccnc1
InChIInChI=1S/C6H7N3O.C6H5NO2/c7-6(9-10)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5/h1-4,10H,(H2,7,9);1-4H,(H,8,9)/p-1
InChIKeyLODZMBGWSGGEFB-UHFFFAOYSA-M
MW259.25 g/mol
LogP-0.38
Rot. Bonds2

About N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate

N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate (PubChem CID 22353992) has the molecular formula C12H11N4O3- and a molecular weight of 259.25 g/mol. Its IUPAC name is N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate.

Molecular Properties

Compound NameN'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
PubChem CID22353992
Molecular FormulaC12H11N4O3-
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC NameN'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
SMILESN/C(=N\O)c1cccnc1.O=C([O-])c1cccnc1
InChIInChI=1S/C6H7N3O.C6H5NO2/c7-6(9-10)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5/h1-4,10H,(H2,7,9);1-4H,(H,8,9)/p-1
InChIKeyLODZMBGWSGGEFB-UHFFFAOYSA-M
XLogP-0.38
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032
(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)
CID 175782896
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
[amino-[[amino(pyridin-3-yl)methylidene]amino]methylidene]azanium
CID 147378238
5-methylpyridin-1-ium-2-amine;pyridine-3-carboxylate
CID 139078518
oxalic acid;pyridine-3-carboxamide
CID 69110411
N'-methoxypyridine-3-carboximidamide
CID 82467799
potassium;ethene;pyridine-3-carboxamide
CID 174767244

Frequently Asked Questions

What is the IUPAC name of N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate?
The IUPAC name of N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate (CID 22353992) is N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate.
What is the SMILES notation for N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate?
The canonical SMILES for N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate is N/C(=N\O)c1cccnc1.O=C([O-])c1cccnc1.
What is the InChIKey of N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate?
The InChIKey is LODZMBGWSGGEFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7N3O.C6H5NO2/c7-6(9-10)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5/h1-4,10H,(H2,7,9);1-4H,(H,8,9)/p-1.
What are the key properties of N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate?
N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate has a molecular weight of 259.25 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate is sourced from PubChem (CID 22353992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).