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

C8H11ClN2O2 — CID 170827531

IUPAC3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O2/c9-7-2-1-5(4-11-7)8(13)6(12)3-10/h1-2,4,6,8,12-13H,3,10H2
InChIKeyPFILOQFWHCICON-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.09
Rot. Bonds3

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

3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol (PubChem CID 170827531) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
PubChem CID170827531
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O2/c9-7-2-1-5(4-11-7)8(13)6(12)3-10/h1-2,4,6,8,12-13H,3,10H2
InChIKeyPFILOQFWHCICON-UHFFFAOYSA-N
XLogP0.09
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.09
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-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol
CID 170828786
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
3-amino-1-[4-chloro-3-(chloromethyl)phenyl]propane-1,2-diol
CID 170827885

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol (CID 170827531) is 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol is NCC(O)C(O)c1ccc(Cl)nc1.
What is the InChIKey of 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol?
The InChIKey is PFILOQFWHCICON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-7-2-1-5(4-11-7)8(13)6(12)3-10/h1-2,4,6,8,12-13H,3,10H2.
What are the key properties of 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol?
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol has a molecular weight of 202.64 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).