1-(6-chloro-2-pyridinyl)propane-1,2,3-triol

C8H10ClNO3 — CID 170817344

IUPAC1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cccc(Cl)n1
InChIInChI=1S/C8H10ClNO3/c9-7-3-1-2-5(10-7)8(13)6(12)4-11/h1-3,6,8,11-13H,4H2
InChIKeyUKQLWUUTKDAKQN-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.12
Rot. Bonds3

About 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol

1-(6-chloro-2-pyridinyl)propane-1,2,3-triol (PubChem CID 170817344) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
PubChem CID170817344
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cccc(Cl)n1
InChIInChI=1S/C8H10ClNO3/c9-7-3-1-2-5(10-7)8(13)6(12)4-11/h1-3,6,8,11-13H,4H2
InChIKeyUKQLWUUTKDAKQN-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

S-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875352
N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882517
2-amino-1-(6-chloro-2-pyridinyl)ethanol
CID 14578852
2-amino-1-(6-chloro-2-pyridinyl)pentan-1-ol
CID 165348764
1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817506
(1R)-3-amino-1-(6-chloro-2-pyridinyl)propan-1-ol
CID 96854674
(1R,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 161364147
(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 159350159
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
CID 171861504
1-(6-chloro-2-pyridinyl)-3-(methylamino)propan-1-ol
CID 89314650
6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide
CID 171859983

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol (CID 170817344) is 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol is OCC(O)C(O)c1cccc(Cl)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol?
The InChIKey is UKQLWUUTKDAKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c9-7-3-1-2-5(10-7)8(13)6(12)4-11/h1-3,6,8,11-13H,4H2.
What are the key properties of 1-(6-chloro-2-pyridinyl)propane-1,2,3-triol?
1-(6-chloro-2-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-(6-chloro-2-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).