1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol

C13H11ClFNO2 — CID 146260150

IUPAC1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol
SMILESOCC(O)(c1ccc(F)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClFNO2/c14-12-7-10(5-6-16-12)13(18,8-17)9-1-3-11(15)4-2-9/h1-7,17-18H,8H2
InChIKeyZGEAYMTXNMIWLF-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.10
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol

1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol (PubChem CID 146260150) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol
PubChem CID146260150
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol
SMILESOCC(O)(c1ccc(F)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClFNO2/c14-12-7-10(5-6-16-12)13(18,8-17)9-1-3-11(15)4-2-9/h1-7,17-18H,8H2
InChIKeyZGEAYMTXNMIWLF-UHFFFAOYSA-N
XLogP2.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)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 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol (CID 146260150) is 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol is OCC(O)(c1ccc(F)cc1)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol?
The InChIKey is ZGEAYMTXNMIWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c14-12-7-10(5-6-16-12)13(18,8-17)9-1-3-11(15)4-2-9/h1-7,17-18H,8H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol?
1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol has a molecular weight of 267.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 146260150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).