4-chloro-2H-pyran-6-ol

C5H5ClO2 — CID 90715715

IUPAC4-chloro-2H-pyran-6-ol
SMILESOC1=CC(Cl)=CCO1
InChIInChI=1S/C5H5ClO2/c6-4-1-2-8-5(7)3-4/h1,3,7H,2H2
InChIKeyBKTBZSWWCJGBMK-UHFFFAOYSA-N
MW132.55 g/mol
LogP1.54
Rot. Bonds

About 4-chloro-2H-pyran-6-ol

4-chloro-2H-pyran-6-ol (PubChem CID 90715715) has the molecular formula C5H5ClO2 and a molecular weight of 132.55 g/mol. Its IUPAC name is 4-chloro-2H-pyran-6-ol.

Molecular Properties

Compound Name4-chloro-2H-pyran-6-ol
PubChem CID90715715
Molecular FormulaC5H5ClO2
Molecular Weight132.55 g/mol
Exact Mass132.00
IUPAC Name4-chloro-2H-pyran-6-ol
SMILESOC1=CC(Cl)=CCO1
InChIInChI=1S/C5H5ClO2/c6-4-1-2-8-5(7)3-4/h1,3,7H,2H2
InChIKeyBKTBZSWWCJGBMK-UHFFFAOYSA-N
XLogP1.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-pyran-6-ol?
The IUPAC name of 4-chloro-2H-pyran-6-ol (CID 90715715) is 4-chloro-2H-pyran-6-ol.
What is the SMILES notation for 4-chloro-2H-pyran-6-ol?
The canonical SMILES for 4-chloro-2H-pyran-6-ol is OC1=CC(Cl)=CCO1.
What is the InChIKey of 4-chloro-2H-pyran-6-ol?
The InChIKey is BKTBZSWWCJGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2/c6-4-1-2-8-5(7)3-4/h1,3,7H,2H2.
What are the key properties of 4-chloro-2H-pyran-6-ol?
4-chloro-2H-pyran-6-ol has a molecular weight of 132.55 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-pyran-6-ol is sourced from PubChem (CID 90715715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).