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

C8H11FN2O2 — CID 170827543

IUPAC3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cccnc1F
InChIInChI=1S/C8H11FN2O2/c9-8-5(2-1-3-11-8)7(13)6(12)4-10/h1-3,6-7,12-13H,4,10H2
InChIKeySBDZUVQSRYIZKL-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.43
Rot. Bonds3

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

3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol (PubChem CID 170827543) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol
PubChem CID170827543
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cccnc1F
InChIInChI=1S/C8H11FN2O2/c9-8-5(2-1-3-11-8)7(13)6(12)4-10/h1-3,6-7,12-13H,4,10H2
InChIKeySBDZUVQSRYIZKL-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-fluoro-3-pyridinyl)propan-1-ol
CID 130786152
(1S,2S)-1-amino-1-(2-fluoro-3-pyridinyl)propan-2-ol
CID 55292775
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
(2-fluoro-3-pyridinyl)-phenylmethanol
CID 12711112
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203348
3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol
CID 170828083
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171312984
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol (CID 170827543) is 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol is NCC(O)C(O)c1cccnc1F.
What is the InChIKey of 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol?
The InChIKey is SBDZUVQSRYIZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c9-8-5(2-1-3-11-8)7(13)6(12)4-10/h1-3,6-7,12-13H,4,10H2.
What are the key properties of 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol?
3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-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 3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).