5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol

C11H10FNO3 — CID 67248708

IUPAC5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol
SMILESCOc1ccc2ncc(O)c(CO)c2c1F
InChIInChI=1S/C11H10FNO3/c1-16-9-3-2-7-10(11(9)12)6(5-14)8(15)4-13-7/h2-4,14-15H,5H2,1H3
InChIKeyPMTGGYRBJMVSCM-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.58
Rot. Bonds2

About 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol

5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol (PubChem CID 67248708) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol.

Molecular Properties

Compound Name5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol
PubChem CID67248708
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol
SMILESCOc1ccc2ncc(O)c(CO)c2c1F
InChIInChI=1S/C11H10FNO3/c1-16-9-3-2-7-10(11(9)12)6(5-14)8(15)4-13-7/h2-4,14-15H,5H2,1H3
InChIKeyPMTGGYRBJMVSCM-UHFFFAOYSA-N
XLogP1.58
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol?
The IUPAC name of 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol (CID 67248708) is 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol.
What is the SMILES notation for 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol?
The canonical SMILES for 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol is COc1ccc2ncc(O)c(CO)c2c1F.
What is the InChIKey of 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol?
The InChIKey is PMTGGYRBJMVSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-16-9-3-2-7-10(11(9)12)6(5-14)8(15)4-13-7/h2-4,14-15H,5H2,1H3.
What are the key properties of 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol?
5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol has a molecular weight of 223.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(hydroxymethyl)-6-methoxyquinolin-3-ol is sourced from PubChem (CID 67248708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).