(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol

C7H7ClFNO2 — CID 89310968

IUPAC(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol
SMILESOC[C@@H](O)c1cnc(Cl)c(F)c1
InChIInChI=1S/C7H7ClFNO2/c8-7-5(9)1-4(2-10-7)6(12)3-11/h1-2,6,11-12H,3H2/t6-/m1/s1
InChIKeyHREANDBMGZEZQL-ZCFIWIBFSA-N
MW191.59 g/mol
LogP0.90
Rot. Bonds2

About (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol

(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol (PubChem CID 89310968) has the molecular formula C7H7ClFNO2 and a molecular weight of 191.59 g/mol. Its IUPAC name is (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol
PubChem CID89310968
Molecular FormulaC7H7ClFNO2
Molecular Weight191.59 g/mol
Exact Mass191.01
IUPAC Name(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol
SMILESOC[C@@H](O)c1cnc(Cl)c(F)c1
InChIInChI=1S/C7H7ClFNO2/c8-7-5(9)1-4(2-10-7)6(12)3-11/h1-2,6,11-12H,3H2/t6-/m1/s1
InChIKeyHREANDBMGZEZQL-ZCFIWIBFSA-N
XLogP0.90
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol (CID 89310968) is (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol is OC[C@@H](O)c1cnc(Cl)c(F)c1.
What is the InChIKey of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol?
The InChIKey is HREANDBMGZEZQL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7ClFNO2/c8-7-5(9)1-4(2-10-7)6(12)3-11/h1-2,6,11-12H,3H2/t6-/m1/s1.
What are the key properties of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol?
(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol has a molecular weight of 191.59 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethane-1,2-diol is sourced from PubChem (CID 89310968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).