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

C8H8ClNO4 — CID 170823447

IUPAC3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO4/c9-5-2-1-4(3-10-5)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14)
InChIKeyRNXMDTPKZGCOHO-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.21
Rot. Bonds3

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

3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823447) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170823447
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Name3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO4/c9-5-2-1-4(3-10-5)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14)
InChIKeyRNXMDTPKZGCOHO-UHFFFAOYSA-N
XLogP0.21
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
carbonic acid;2,5-dichloropyridine
CID 159285207
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
6-chloro-2-(6-chloro-3-pyridinyl)hexanoic acid
CID 58110161
3-(6-chloro-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825064
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823966
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170823447) is 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is RNXMDTPKZGCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4/c9-5-2-1-4(3-10-5)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14).
What are the key properties of 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 217.61 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).