(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol

C8H11FN2O2 — CID 135302857

IUPAC(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol
SMILESN[C@@H](CO)[C@H](O)c1ccc(F)cn1
InChIInChI=1S/C8H11FN2O2/c9-5-1-2-7(11-3-5)8(13)6(10)4-12/h1-3,6,8,12-13H,4,10H2/t6-,8-/m0/s1
InChIKeyWNXPBZQHUWZTMS-XPUUQOCRSA-N
MW186.19 g/mol
LogP-0.43
Rot. Bonds3

About (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol

(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol (PubChem CID 135302857) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol
PubChem CID135302857
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol
SMILESN[C@@H](CO)[C@H](O)c1ccc(F)cn1
InChIInChI=1S/C8H11FN2O2/c9-5-1-2-7(11-3-5)8(13)6(10)4-12/h1-3,6,8,12-13H,4,10H2/t6-,8-/m0/s1
InChIKeyWNXPBZQHUWZTMS-XPUUQOCRSA-N
XLogP-0.43
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-1-(5-fluoro-2-pyridinyl)ethanol
CID 83128440
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877149
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
3-amino-3-(5-fluoro-2-pyridinyl)propanamide
CID 87634519
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
3-(5-fluoro-2-pyridinyl)heptan-4-amine
CID 112586757
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
CID 155173285
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
(2-amino-3-pyridinyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722117
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol?
The IUPAC name of (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol (CID 135302857) is (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol.
What is the SMILES notation for (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol?
The canonical SMILES for (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol is N[C@@H](CO)[C@H](O)c1ccc(F)cn1.
What is the InChIKey of (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol?
The InChIKey is WNXPBZQHUWZTMS-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H11FN2O2/c9-5-1-2-7(11-3-5)8(13)6(10)4-12/h1-3,6,8,12-13H,4,10H2/t6-,8-/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol?
(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol has a molecular weight of 186.19 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol is sourced from PubChem (CID 135302857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).