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

C12H11ClN2O — CID 67322383

IUPAC2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
SMILESOCCc1cnc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H11ClN2O/c13-11-3-1-2-10(6-11)12-14-7-9(4-5-16)8-15-12/h1-3,6-8,16H,4-5H2
InChIKeyJBGTWOANRSXXAO-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.33
Rot. Bonds3

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

2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol (PubChem CID 67322383) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
PubChem CID67322383
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
SMILESOCCc1cnc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C12H11ClN2O/c13-11-3-1-2-10(6-11)12-14-7-9(4-5-16)8-15-12/h1-3,6-8,16H,4-5H2
InChIKeyJBGTWOANRSXXAO-UHFFFAOYSA-N
XLogP2.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-5-(methoxymethyl)pyrimidine
CID 67321808
3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
CID 112754962
1-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322025
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
2-(3-chlorophenyl)-5-nitropyrimidine
CID 67287515
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600353
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
2-(3-chlorophenyl)phenanthro[9,10-d]pyrimidine
CID 121433910
2-[4-[[2-(3-chlorophenyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]methyl]phenyl]ethanol
CID 146857274
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl]phenyl]ethanol
CID 90338480

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol (CID 67322383) is 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol is OCCc1cnc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
The InChIKey is JBGTWOANRSXXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-11-3-1-2-10(6-11)12-14-7-9(4-5-16)8-15-12/h1-3,6-8,16H,4-5H2.
What are the key properties of 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol?
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol has a molecular weight of 234.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 67322383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).