6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide

C10H13F2N5O4 — CID 107480069

IUPAC6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cnc(N(CCO)CC(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13F2N5O4/c11-8(12)5-16(1-2-18)10-7(17(20)21)3-6(4-14-10)9(13)15-19/h3-4,8,18-19H,1-2,5H2,(H2,13,15)
InChIKeyBJLZBQDZVBESPU-UHFFFAOYSA-N
MW305.24 g/mol
LogP0.15
Rot. Bonds7

About 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 107480069) has the molecular formula C10H13F2N5O4 and a molecular weight of 305.24 g/mol. Its IUPAC name is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID107480069
Molecular FormulaC10H13F2N5O4
Molecular Weight305.24 g/mol
Exact Mass305.09
IUPAC Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cnc(N(CCO)CC(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13F2N5O4/c11-8(12)5-16(1-2-18)10-7(17(20)21)3-6(4-14-10)9(13)15-19/h3-4,8,18-19H,1-2,5H2,(H2,13,15)
InChIKeyBJLZBQDZVBESPU-UHFFFAOYSA-N
XLogP0.15
TPSA138.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 50.15
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

6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470370
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470406
2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484213
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107480053
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103488543
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
2-[3-amino-N-(2,2-difluoroethyl)-5-nitroanilino]ethanol
CID 107495054

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 107480069) is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide is NC(=NO)c1cnc(N(CCO)CC(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is BJLZBQDZVBESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O4/c11-8(12)5-16(1-2-18)10-7(17(20)21)3-6(4-14-10)9(13)15-19/h3-4,8,18-19H,1-2,5H2,(H2,13,15).
What are the key properties of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 305.24 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 107480069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).