1-(2-chloro-4-pyridinyl)propane-1,2,3-triol

C8H10ClNO3 — CID 170817359

IUPAC1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccnc(Cl)c1
InChIInChI=1S/C8H10ClNO3/c9-7-3-5(1-2-10-7)8(13)6(12)4-11/h1-3,6,8,11-13H,4H2
InChIKeyRDPCBEBCRALUKZ-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.12
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol

1-(2-chloro-4-pyridinyl)propane-1,2,3-triol (PubChem CID 170817359) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
PubChem CID170817359
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccnc(Cl)c1
InChIInChI=1S/C8H10ClNO3/c9-7-3-5(1-2-10-7)8(13)6(12)4-11/h1-3,6,8,11-13H,4H2
InChIKeyRDPCBEBCRALUKZ-UHFFFAOYSA-N
XLogP0.12
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.12
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

4-bromo-1-(2-chloro-4-pyridinyl)butane-1,2-diol
CID 171891492
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
CID 89034053
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 55294166
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
2-chloro-4-(1,2,3-trihydroxypropyl)benzonitrile
CID 170817886
2-chloro-5-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817757
1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818368
(2-chloro-4-pyridinyl)methanol
CID 7062237
1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
CID 170817640

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol (CID 170817359) is 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol is OCC(O)C(O)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol?
The InChIKey is RDPCBEBCRALUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c9-7-3-5(1-2-10-7)8(13)6(12)4-11/h1-3,6,8,11-13H,4H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol?
1-(2-chloro-4-pyridinyl)propane-1,2,3-triol has a molecular weight of 203.62 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).