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

C7H8ClFN2O2 — CID 130270139

IUPAC(2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol
SMILESCCOC(O)c1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2O2/c1-2-13-6(12)5-4(9)3-10-7(8)11-5/h3,6,12H,2H2,1H3
InChIKeyOTBQZWIGAXCGRQ-UHFFFAOYSA-N
MW206.60 g/mol
LogP1.30
Rot. Bonds3

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

(2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol (PubChem CID 130270139) has the molecular formula C7H8ClFN2O2 and a molecular weight of 206.60 g/mol. Its IUPAC name is (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol.

Molecular Properties

Compound Name(2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol
PubChem CID130270139
Molecular FormulaC7H8ClFN2O2
Molecular Weight206.60 g/mol
Exact Mass206.03
IUPAC Name(2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol
SMILESCCOC(O)c1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2O2/c1-2-13-6(12)5-4(9)3-10-7(8)11-5/h3,6,12H,2H2,1H3
InChIKeyOTBQZWIGAXCGRQ-UHFFFAOYSA-N
XLogP1.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.60
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol?
The IUPAC name of (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol (CID 130270139) is (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol.
What is the SMILES notation for (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol?
The canonical SMILES for (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol is CCOC(O)c1nc(Cl)ncc1F.
What is the InChIKey of (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol?
The InChIKey is OTBQZWIGAXCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O2/c1-2-13-6(12)5-4(9)3-10-7(8)11-5/h3,6,12H,2H2,1H3.
What are the key properties of (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol?
(2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol has a molecular weight of 206.60 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoropyrimidin-4-yl)-ethoxymethanol is sourced from PubChem (CID 130270139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).