6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide

C10H14F2N4O2 — CID 136858019

IUPAC6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cccc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H14F2N4O2/c11-8(12)6-16(4-5-17)9-3-1-2-7(14-9)10(13)15-18/h1-3,8,17-18H,4-6H2,(H2,13,15)
InChIKeyYZJXXKKBKWMHBE-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.24
Rot. Bonds6

About 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide

6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136858019) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136858019
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC Name6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cccc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H14F2N4O2/c11-8(12)6-16(4-5-17)9-3-1-2-7(14-9)10(13)15-18/h1-3,8,17-18H,4-6H2,(H2,13,15)
InChIKeyYZJXXKKBKWMHBE-UHFFFAOYSA-N
XLogP0.24
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[2,2-difluoroethyl-(6-methoxy-2-pyridinyl)amino]ethanol
CID 107484208
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107480053
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107480056
2-[(5-amino-6-methoxy-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478117
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 107480405
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
6-[benzyl(2-hydroxyethyl)amino]pyridine-2-carbothioamide
CID 64593716
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide (CID 136858019) is 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cccc(N(CCO)CC(F)F)n1.
What is the InChIKey of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is YZJXXKKBKWMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c11-8(12)6-16(4-5-17)9-3-1-2-7(14-9)10(13)15-18/h1-3,8,17-18H,4-6H2,(H2,13,15).
What are the key properties of 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide?
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 260.24 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136858019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).