2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol

C12H10ClFN2O — CID 107883575

IUPAC2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccncn1
InChIInChI=1S/C12H10ClFN2O/c13-9-2-1-8(5-10(9)14)6-12(17)11-3-4-15-7-16-11/h1-5,7,12,17H,6H2
InChIKeyXAQNJQYXQWYEKS-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.55
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol

2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol (PubChem CID 107883575) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol
PubChem CID107883575
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccncn1
InChIInChI=1S/C12H10ClFN2O/c13-9-2-1-8(5-10(9)14)6-12(17)11-3-4-15-7-16-11/h1-5,7,12,17H,6H2
InChIKeyXAQNJQYXQWYEKS-UHFFFAOYSA-N
XLogP2.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
CID 114012664
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol
CID 63987868
2-(4-chloro-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 107884317
1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 107884648
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol (CID 107883575) is 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol is OC(Cc1ccc(Cl)c(F)c1)c1ccncn1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol?
The InChIKey is XAQNJQYXQWYEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-2-1-8(5-10(9)14)6-12(17)11-3-4-15-7-16-11/h1-5,7,12,17H,6H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol?
2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol has a molecular weight of 252.68 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol is sourced from PubChem (CID 107883575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).