2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol

C13H12ClNO — CID 117001635

IUPAC2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol
SMILESOCCc1ccnc(-c2ccccc2Cl)c1
InChIInChI=1S/C13H12ClNO/c14-12-4-2-1-3-11(12)13-9-10(6-8-16)5-7-15-13/h1-5,7,9,16H,6,8H2
InChIKeyFSWANJGEWPKCGE-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.94
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol

2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol (PubChem CID 117001635) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol
PubChem CID117001635
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol
SMILESOCCc1ccnc(-c2ccccc2Cl)c1
InChIInChI=1S/C13H12ClNO/c14-12-4-2-1-3-11(12)13-9-10(6-8-16)5-7-15-13/h1-5,7,9,16H,6,8H2
InChIKeyFSWANJGEWPKCGE-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol (CID 117001635) is 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol is OCCc1ccnc(-c2ccccc2Cl)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol?
The InChIKey is FSWANJGEWPKCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-4-2-1-3-11(12)13-9-10(6-8-16)5-7-15-13/h1-5,7,9,16H,6,8H2.
What are the key properties of 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol?
2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol has a molecular weight of 233.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol is sourced from PubChem (CID 117001635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).