1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol

C8H11ClN2O3 — CID 170817506

IUPAC1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
SMILESNc1ccc(C(O)C(O)CO)nc1Cl
InChIInChI=1S/C8H11ClN2O3/c9-8-4(10)1-2-5(11-8)7(14)6(13)3-12/h1-2,6-7,12-14H,3,10H2
InChIKeySJUDYGZJTCMZHW-UHFFFAOYSA-N
MW218.64 g/mol
LogP-0.30
Rot. Bonds3

About 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol

1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol (PubChem CID 170817506) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
PubChem CID170817506
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
SMILESNc1ccc(C(O)C(O)CO)nc1Cl
InChIInChI=1S/C8H11ClN2O3/c9-8-4(10)1-2-5(11-8)7(14)6(13)3-12/h1-2,6-7,12-14H,3,10H2
InChIKeySJUDYGZJTCMZHW-UHFFFAOYSA-N
XLogP-0.30
TPSA99.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-6-chloro-2-pyridinyl)-3-chloropropane-1,2-diol
CID 171861679
4-amino-1-(5-amino-6-chloro-2-pyridinyl)butane-1,2-diol
CID 171880901
1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893444
1-(5-amino-6-chloro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873736
2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
CID 88634659
S-[4-(5-amino-6-chloro-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875528
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 171863141
1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
CID 171872100
(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol
CID 130618210
1-(4-amino-3-hydroxyphenyl)propane-1,2,3-triol
CID 170817629
1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol
CID 170817924

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol (CID 170817506) is 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol is Nc1ccc(C(O)C(O)CO)nc1Cl.
What is the InChIKey of 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol?
The InChIKey is SJUDYGZJTCMZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c9-8-4(10)1-2-5(11-8)7(14)6(13)3-12/h1-2,6-7,12-14H,3,10H2.
What are the key properties of 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol?
1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol has a molecular weight of 218.64 g/mol, XLogP of -0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).