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

C8H8ClNO4 — CID 170823452

IUPAC3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ncccc1Cl
InChIInChI=1S/C8H8ClNO4/c9-4-2-1-3-10-5(4)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14)
InChIKeyPNCZRGZHBTZOFD-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.21
Rot. Bonds3

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

3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823452) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170823452
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Name3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ncccc1Cl
InChIInChI=1S/C8H8ClNO4/c9-4-2-1-3-10-5(4)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14)
InChIKeyPNCZRGZHBTZOFD-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

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Related Compounds

2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
CID 175281524
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
S-[3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821404
2-[(3-chloro-2-pyridinyl)-hydroxymethyl]prop-2-enoic acid
CID 175180352
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900436
1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857436
3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
(1S)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethanol
CID 129453199
N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide
CID 177366200

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170823452) is 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1ncccc1Cl.
What is the InChIKey of 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is PNCZRGZHBTZOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4/c9-4-2-1-3-10-5(4)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14).
What are the key properties of 3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(3-chloro-2-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-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).