8-fluoroquinoline-3-carboxylic acid;hydrate

C10H8FNO3 — CID 90668422

IUPAC8-fluoroquinoline-3-carboxylic acid;hydrate
SMILESO.O=C(O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C10H6FNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2
InChIKeyCRFYDYYQAGCYRF-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.25
Rot. Bonds1

About 8-fluoroquinoline-3-carboxylic acid;hydrate

8-fluoroquinoline-3-carboxylic acid;hydrate (PubChem CID 90668422) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 8-fluoroquinoline-3-carboxylic acid;hydrate.

Molecular Properties

Compound Name8-fluoroquinoline-3-carboxylic acid;hydrate
PubChem CID90668422
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name8-fluoroquinoline-3-carboxylic acid;hydrate
SMILESO.O=C(O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C10H6FNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2
InChIKeyCRFYDYYQAGCYRF-UHFFFAOYSA-N
XLogP1.25
TPSA81.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoroquinoline-3-carboxylic acid;hydrate?
The IUPAC name of 8-fluoroquinoline-3-carboxylic acid;hydrate (CID 90668422) is 8-fluoroquinoline-3-carboxylic acid;hydrate.
What is the SMILES notation for 8-fluoroquinoline-3-carboxylic acid;hydrate?
The canonical SMILES for 8-fluoroquinoline-3-carboxylic acid;hydrate is O.O=C(O)c1cnc2c(F)cccc2c1.
What is the InChIKey of 8-fluoroquinoline-3-carboxylic acid;hydrate?
The InChIKey is CRFYDYYQAGCYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2.
What are the key properties of 8-fluoroquinoline-3-carboxylic acid;hydrate?
8-fluoroquinoline-3-carboxylic acid;hydrate has a molecular weight of 209.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoroquinoline-3-carboxylic acid;hydrate is sourced from PubChem (CID 90668422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).