1-(2-chloro-3-fluoro-4-pyridinyl)ethanol

C7H7ClFNO — CID 155293845

IUPAC1-(2-chloro-3-fluoro-4-pyridinyl)ethanol
SMILESCC(O)c1ccnc(Cl)c1F
InChIInChI=1S/C7H7ClFNO/c1-4(11)5-2-3-10-7(8)6(5)9/h2-4,11H,1H3
InChIKeyHQWQCEVTIBNUKE-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.93
Rot. Bonds1

About 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol

1-(2-chloro-3-fluoro-4-pyridinyl)ethanol (PubChem CID 155293845) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-4-pyridinyl)ethanol
PubChem CID155293845
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name1-(2-chloro-3-fluoro-4-pyridinyl)ethanol
SMILESCC(O)c1ccnc(Cl)c1F
InChIInChI=1S/C7H7ClFNO/c1-4(11)5-2-3-10-7(8)6(5)9/h2-4,11H,1H3
InChIKeyHQWQCEVTIBNUKE-UHFFFAOYSA-N
XLogP1.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.93
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 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol?
The IUPAC name of 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol (CID 155293845) is 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol is CC(O)c1ccnc(Cl)c1F.
What is the InChIKey of 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol?
The InChIKey is HQWQCEVTIBNUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c1-4(11)5-2-3-10-7(8)6(5)9/h2-4,11H,1H3.
What are the key properties of 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol?
1-(2-chloro-3-fluoro-4-pyridinyl)ethanol has a molecular weight of 175.59 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-4-pyridinyl)ethanol is sourced from PubChem (CID 155293845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).