2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C12H17F2N3O — CID 106621171

IUPAC2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1ncc(F)cc1F
InChIInChI=1S/C12H17F2N3O/c13-9-6-11(14)12(16-7-9)17(4-5-18)8-10-2-1-3-15-10/h6-7,10,15,18H,1-5,8H2
InChIKeyCSEXHHWRXVJAMY-UHFFFAOYSA-N
MW257.28 g/mol
LogP0.91
Rot. Bonds5

About 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106621171) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106621171
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1ncc(F)cc1F
InChIInChI=1S/C12H17F2N3O/c13-9-6-11(14)12(16-7-9)17(4-5-18)8-10-2-1-3-15-10/h6-7,10,15,18H,1-5,8H2
InChIKeyCSEXHHWRXVJAMY-UHFFFAOYSA-N
XLogP0.91
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106621377
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621130
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621481
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106621438
1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106621403
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106621171) is 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol is OCCN(CC1CCCN1)c1ncc(F)cc1F.
What is the InChIKey of 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is CSEXHHWRXVJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c13-9-6-11(14)12(16-7-9)17(4-5-18)8-10-2-1-3-15-10/h6-7,10,15,18H,1-5,8H2.
What are the key properties of 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 257.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106621171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).