3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol

C8H9Cl2NO3 — CID 171863141

IUPAC3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol
SMILESOc1ccc(C(O)C(O)CCl)nc1Cl
InChIInChI=1S/C8H9Cl2NO3/c9-3-6(13)7(14)4-1-2-5(12)8(10)11-4/h1-2,6-7,12-14H,3H2
InChIKeyAHYLCRCSXVWRME-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.07
Rot. Bonds3

About 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol

3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol (PubChem CID 171863141) has the molecular formula C8H9Cl2NO3 and a molecular weight of 238.07 g/mol. Its IUPAC name is 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol
PubChem CID171863141
Molecular FormulaC8H9Cl2NO3
Molecular Weight238.07 g/mol
Exact Mass237.00
IUPAC Name3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol
SMILESOc1ccc(C(O)C(O)CCl)nc1Cl
InChIInChI=1S/C8H9Cl2NO3/c9-3-6(13)7(14)4-1-2-5(12)8(10)11-4/h1-2,6-7,12-14H,3H2
InChIKeyAHYLCRCSXVWRME-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-6-chloro-2-pyridinyl)-3-chloropropane-1,2-diol
CID 171861679
3-chloro-1-(5-hydroxy-6-nitro-2-pyridinyl)propane-1,2-diol
CID 171862433
2-chloro-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-ol
CID 129365898
1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893444
1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817506
6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol
CID 131093477
3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
CID 171861504
4-amino-1-(5-amino-6-chloro-2-pyridinyl)butane-1,2-diol
CID 171880901
1-(5-amino-6-chloro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873736
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
S-[4-(5-amino-6-chloro-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875528
3-chloro-1-(2-chloro-3-fluoro-4-pyridinyl)propane-1,2-diol
CID 171863134

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol (CID 171863141) is 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol is Oc1ccc(C(O)C(O)CCl)nc1Cl.
What is the InChIKey of 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol?
The InChIKey is AHYLCRCSXVWRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO3/c9-3-6(13)7(14)4-1-2-5(12)8(10)11-4/h1-2,6-7,12-14H,3H2.
What are the key properties of 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol?
3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol has a molecular weight of 238.07 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 171863141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).