2-(2-chloro-5-fluoro-3-pyridinyl)ethanol

C7H7ClFNO — CID 174218174

IUPAC2-(2-chloro-5-fluoro-3-pyridinyl)ethanol
SMILESOCCc1cc(F)cnc1Cl
InChIInChI=1S/C7H7ClFNO/c8-7-5(1-2-11)3-6(9)4-10-7/h3-4,11H,1-2H2
InChIKeyHRCGMKPNVTVTKK-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.41
Rot. Bonds2

About 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol

2-(2-chloro-5-fluoro-3-pyridinyl)ethanol (PubChem CID 174218174) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-3-pyridinyl)ethanol
PubChem CID174218174
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name2-(2-chloro-5-fluoro-3-pyridinyl)ethanol
SMILESOCCc1cc(F)cnc1Cl
InChIInChI=1S/C7H7ClFNO/c8-7-5(1-2-11)3-6(9)4-10-7/h3-4,11H,1-2H2
InChIKeyHRCGMKPNVTVTKK-UHFFFAOYSA-N
XLogP1.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol (CID 174218174) is 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol is OCCc1cc(F)cnc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol?
The InChIKey is HRCGMKPNVTVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c8-7-5(1-2-11)3-6(9)4-10-7/h3-4,11H,1-2H2.
What are the key properties of 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol?
2-(2-chloro-5-fluoro-3-pyridinyl)ethanol has a molecular weight of 175.59 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 174218174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).