2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one

C7H4ClNO3 — CID 46211991

IUPAC2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one
SMILESO=c1[nH]c2cc(Cl)oc2cc1O
InChIInChI=1S/C7H4ClNO3/c8-6-1-3-5(12-6)2-4(10)7(11)9-3/h1-2,10H,(H,9,11)
InChIKeyWSDOZJRLWPKXTG-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.48
Rot. Bonds

About 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one

2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one (PubChem CID 46211991) has the molecular formula C7H4ClNO3 and a molecular weight of 185.57 g/mol. Its IUPAC name is 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one
PubChem CID46211991
Molecular FormulaC7H4ClNO3
Molecular Weight185.57 g/mol
Exact Mass184.99
IUPAC Name2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one
SMILESO=c1[nH]c2cc(Cl)oc2cc1O
InChIInChI=1S/C7H4ClNO3/c8-6-1-3-5(12-6)2-4(10)7(11)9-3/h1-2,10H,(H,9,11)
InChIKeyWSDOZJRLWPKXTG-UHFFFAOYSA-N
XLogP1.48
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one?
The IUPAC name of 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one (CID 46211991) is 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one.
What is the SMILES notation for 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one?
The canonical SMILES for 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one is O=c1[nH]c2cc(Cl)oc2cc1O.
What is the InChIKey of 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one?
The InChIKey is WSDOZJRLWPKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3/c8-6-1-3-5(12-6)2-4(10)7(11)9-3/h1-2,10H,(H,9,11).
What are the key properties of 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one?
2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one has a molecular weight of 185.57 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one is sourced from PubChem (CID 46211991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).