2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol

C6H6ClFN2O — CID 87259288

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol
SMILESOCCc1nc(Cl)ncc1F
InChIInChI=1S/C6H6ClFN2O/c7-6-9-3-4(8)5(10-6)1-2-11/h3,11H,1-2H2
InChIKeyRKDVWGIPESQUGO-UHFFFAOYSA-N
MW176.58 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol

2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol (PubChem CID 87259288) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol
PubChem CID87259288
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol
SMILESOCCc1nc(Cl)ncc1F
InChIInChI=1S/C6H6ClFN2O/c7-6-9-3-4(8)5(10-6)1-2-11/h3,11H,1-2H2
InChIKeyRKDVWGIPESQUGO-UHFFFAOYSA-N
XLogP0.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol (CID 87259288) is 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol is OCCc1nc(Cl)ncc1F.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol?
The InChIKey is RKDVWGIPESQUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c7-6-9-3-4(8)5(10-6)1-2-11/h3,11H,1-2H2.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol?
2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol has a molecular weight of 176.58 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol is sourced from PubChem (CID 87259288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).