1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol

C9H13FN2O3 — CID 171871936

IUPAC1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol
SMILESNc1ncc(C(O)C(O)CCO)cc1F
InChIInChI=1S/C9H13FN2O3/c10-6-3-5(4-12-9(6)11)8(15)7(14)1-2-13/h3-4,7-8,13-15H,1-2H2,(H2,11,12)
InChIKeyNFPQXCQYRPSVNM-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.42
Rot. Bonds4

About 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol

1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol (PubChem CID 171871936) has the molecular formula C9H13FN2O3 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol
PubChem CID171871936
Molecular FormulaC9H13FN2O3
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol
SMILESNc1ncc(C(O)C(O)CCO)cc1F
InChIInChI=1S/C9H13FN2O3/c10-6-3-5(4-12-9(6)11)8(15)7(14)1-2-13/h3-4,7-8,13-15H,1-2H2,(H2,11,12)
InChIKeyNFPQXCQYRPSVNM-UHFFFAOYSA-N
XLogP-0.42
TPSA99.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-6-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872046
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
1-(3,4-difluoro-5-hydroxyphenyl)butane-1,2,4-triol
CID 171872253
1-[4-fluoro-3-(hydroxymethyl)phenyl]butane-1,2,4-triol
CID 171872202
1-(4-chloro-3-fluorophenyl)butane-1,2,4-triol
CID 171871880
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
1-pyrimidin-5-ylbutane-1,2,4-triol
CID 171871701
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylic acid
CID 171874465
1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
CID 171872100
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol (CID 171871936) is 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol is Nc1ncc(C(O)C(O)CCO)cc1F.
What is the InChIKey of 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol?
The InChIKey is NFPQXCQYRPSVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3/c10-6-3-5(4-12-9(6)11)8(15)7(14)1-2-13/h3-4,7-8,13-15H,1-2H2,(H2,11,12).
What are the key properties of 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol?
1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol has a molecular weight of 216.21 g/mol, XLogP of -0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171871936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).