4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide

C11H16F2N4O — CID 107480262

IUPAC4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(CCO)CC(F)F)ccn1
InChIInChI=1S/C11H16F2N4O/c12-10(13)7-17(3-4-18)6-8-1-2-16-9(5-8)11(14)15/h1-2,5,10,18H,3-4,6-7H2,(H3,14,15)
InChIKeyRUOQRZVGLVTZOY-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.43
Rot. Bonds7

About 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide

4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 107480262) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID107480262
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(CCO)CC(F)F)ccn1
InChIInChI=1S/C11H16F2N4O/c12-10(13)7-17(3-4-18)6-8-1-2-16-9(5-8)11(14)15/h1-2,5,10,18H,3-4,6-7H2,(H3,14,15)
InChIKeyRUOQRZVGLVTZOY-UHFFFAOYSA-N
XLogP0.43
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 63880680
2-[(3-amino-4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478656
3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 107479915
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
CID 63882102
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide (CID 107480262) is 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN(CCO)CC(F)F)ccn1.
What is the InChIKey of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is RUOQRZVGLVTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-10(13)7-17(3-4-18)6-8-1-2-16-9(5-8)11(14)15/h1-2,5,10,18H,3-4,6-7H2,(H3,14,15).
What are the key properties of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide?
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 258.27 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 107480262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).