3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide

C8H8ClFN2O3 — CID 171867911

IUPAC3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cnc(Cl)c(F)c1
InChIInChI=1S/C8H8ClFN2O3/c9-7-4(10)1-3(2-12-7)5(13)6(14)8(11)15/h1-2,5-6,13-14H,(H2,11,15)
InChIKeyZSDIRDXQQYGHBD-UHFFFAOYSA-N
MW234.61 g/mol
LogP-0.25
Rot. Bonds3

About 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide

3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide (PubChem CID 171867911) has the molecular formula C8H8ClFN2O3 and a molecular weight of 234.61 g/mol. Its IUPAC name is 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide
PubChem CID171867911
Molecular FormulaC8H8ClFN2O3
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cnc(Cl)c(F)c1
InChIInChI=1S/C8H8ClFN2O3/c9-7-4(10)1-3(2-12-7)5(13)6(14)8(11)15/h1-2,5-6,13-14H,(H2,11,15)
InChIKeyZSDIRDXQQYGHBD-UHFFFAOYSA-N
XLogP-0.25
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 5-0.25
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

(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
CID 90451790
3-(5-amino-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867613
3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171869611
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171867605
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydroxypropanamide
CID 171868320
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171868795
3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide
CID 171868914
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510
3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868435
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide (CID 171867911) is 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cnc(Cl)c(F)c1.
What is the InChIKey of 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide?
The InChIKey is ZSDIRDXQQYGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3/c9-7-4(10)1-3(2-12-7)5(13)6(14)8(11)15/h1-2,5-6,13-14H,(H2,11,15).
What are the key properties of 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide?
3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide has a molecular weight of 234.61 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).