4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol

C9H14FN3O2 — CID 171880903

IUPAC4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ncc(F)cc1N
InChIInChI=1S/C9H14FN3O2/c10-5-3-6(12)8(13-4-5)9(15)7(14)1-2-11/h3-4,7,9,14-15H,1-2,11-12H2
InChIKeyUCKAOZCJZDXGFQ-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.45
Rot. Bonds4

About 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol

4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol (PubChem CID 171880903) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol
PubChem CID171880903
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ncc(F)cc1N
InChIInChI=1S/C9H14FN3O2/c10-5-3-6(12)8(13-4-5)9(15)7(14)1-2-11/h3-4,7,9,14-15H,1-2,11-12H2
InChIKeyUCKAOZCJZDXGFQ-UHFFFAOYSA-N
XLogP-0.45
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(3-amino-5-fluoro-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886279
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol
CID 171881337
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893440
4-amino-1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171881977
1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819550
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
4-amino-1-(2,3,5-trifluorophenyl)butane-1,2-diol
CID 171881078
4-amino-1-(3-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881323
S-[4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875594
S-[4-(3-amino-5-methyl-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875558

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol (CID 171880903) is 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol is NCCC(O)C(O)c1ncc(F)cc1N.
What is the InChIKey of 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol?
The InChIKey is UCKAOZCJZDXGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c10-5-3-6(12)8(13-4-5)9(15)7(14)1-2-11/h3-4,7,9,14-15H,1-2,11-12H2.
What are the key properties of 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol?
4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol has a molecular weight of 215.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).