N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide

C10H13N5O4 — CID 136768975

IUPACN'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(N2CCC(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O4/c11-10(13-17)9-7(15(18)19)1-2-8(12-9)14-4-3-6(16)5-14/h1-2,6,16-17H,3-5H2,(H2,11,13)
InChIKeyRPHOSVYVEDOANW-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.34
Rot. Bonds3

About N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide

N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide (PubChem CID 136768975) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
PubChem CID136768975
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(N2CCC(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O4/c11-10(13-17)9-7(15(18)19)1-2-8(12-9)14-4-3-6(16)5-14/h1-2,6,16-17H,3-5H2,(H2,11,13)
InChIKeyRPHOSVYVEDOANW-UHFFFAOYSA-N
XLogP-0.34
TPSA138.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

N'-hydroxy-6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890211
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136868251
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890236
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890230
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide (CID 136768975) is N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide is N/C(=N/O)c1nc(N2CCC(O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
The InChIKey is RPHOSVYVEDOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-10(13-17)9-7(15(18)19)1-2-8(12-9)14-4-3-6(16)5-14/h1-2,6,16-17H,3-5H2,(H2,11,13).
What are the key properties of N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide has a molecular weight of 267.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136768975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).