1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol

C12H11ClN2O — CID 67322025

IUPAC1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H11ClN2O/c1-8(16)10-6-14-12(15-7-10)9-3-2-4-11(13)5-9/h2-8,16H,1H3
InChIKeyAFVUPBGTOMJAFQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.85
Rot. Bonds2

About 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol

1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol (PubChem CID 67322025) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
PubChem CID67322025
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H11ClN2O/c1-8(16)10-6-14-12(15-7-10)9-3-2-4-11(13)5-9/h2-8,16H,1H3
InChIKeyAFVUPBGTOMJAFQ-UHFFFAOYSA-N
XLogP2.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol (CID 67322025) is 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol is CC(O)c1cnc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
The InChIKey is AFVUPBGTOMJAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8(16)10-6-14-12(15-7-10)9-3-2-4-11(13)5-9/h2-8,16H,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol has a molecular weight of 234.69 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 67322025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).