3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid

C8H7Cl2NO4 — CID 170823721

IUPAC3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C8H7Cl2NO4/c9-3-1-4(7(10)11-2-3)5(12)6(13)8(14)15/h1-2,5-6,12-13H,(H,14,15)
InChIKeyZFCHUWXYJRXIQC-UHFFFAOYSA-N
MW252.05 g/mol
LogP0.87
Rot. Bonds3

About 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid

3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823721) has the molecular formula C8H7Cl2NO4 and a molecular weight of 252.05 g/mol. Its IUPAC name is 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170823721
Molecular FormulaC8H7Cl2NO4
Molecular Weight252.05 g/mol
Exact Mass250.98
IUPAC Name3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C8H7Cl2NO4/c9-3-1-4(7(10)11-2-3)5(12)6(13)8(14)15/h1-2,5-6,12-13H,(H,14,15)
InChIKeyZFCHUWXYJRXIQC-UHFFFAOYSA-N
XLogP0.87
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
methyl 4-(2,5-dichloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895342
3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825058
6-chloro-5-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-3-carboxylic acid
CID 170820309
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
4-(2-carboxy-1,2-dihydroxyethyl)-3-chlorobenzoic acid
CID 170824222
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171867605

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170823721) is 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1cc(Cl)cnc1Cl.
What is the InChIKey of 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is ZFCHUWXYJRXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO4/c9-3-1-4(7(10)11-2-3)5(12)6(13)8(14)15/h1-2,5-6,12-13H,(H,14,15).
What are the key properties of 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 252.05 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).