3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid

C8H8ClNO5 — CID 170825064

IUPAC3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1nc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO5/c9-4-2-1-3(11)5(10-4)6(12)7(13)8(14)15/h1-2,6-7,11-13H,(H,14,15)
InChIKeyBZVWZSKPKGVSLJ-UHFFFAOYSA-N
MW233.61 g/mol
LogP-0.08
Rot. Bonds3

About 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid

3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170825064) has the molecular formula C8H8ClNO5 and a molecular weight of 233.61 g/mol. Its IUPAC name is 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170825064
Molecular FormulaC8H8ClNO5
Molecular Weight233.61 g/mol
Exact Mass233.01
IUPAC Name3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1nc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO5/c9-4-2-1-3(11)5(10-4)6(12)7(13)8(14)15/h1-2,6-7,11-13H,(H,14,15)
InChIKeyBZVWZSKPKGVSLJ-UHFFFAOYSA-N
XLogP-0.08
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromo-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825065
6-chloro-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-ol
CID 23245144
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
3-(6-chloropyrazin-2-yl)-2,3-dihydroxypropanoic acid
CID 76696734
2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
CID 17371099
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
2-(6-chloro-3-methyl-2-pyridinyl)butanoic acid
CID 87238218
2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 11537018
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 25127519

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170825064) is 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1nc(Cl)ccc1O.
What is the InChIKey of 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is BZVWZSKPKGVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO5/c9-4-2-1-3(11)5(10-4)6(12)7(13)8(14)15/h1-2,6-7,11-13H,(H,14,15).
What are the key properties of 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 233.61 g/mol, XLogP of -0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).