6-fluoroisoquinoline-3-carboxylic acid

C10H6FNO2 — CID 68549725

IUPAC6-fluoroisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)ccc2cn1
InChIInChI=1S/C10H6FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)
InChIKeyLOTSIKAINFRFHY-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.07
Rot. Bonds1

About 6-fluoroisoquinoline-3-carboxylic acid

6-fluoroisoquinoline-3-carboxylic acid (PubChem CID 68549725) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-fluoroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoroisoquinoline-3-carboxylic acid
PubChem CID68549725
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name6-fluoroisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)ccc2cn1
InChIInChI=1S/C10H6FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)
InChIKeyLOTSIKAINFRFHY-UHFFFAOYSA-N
XLogP2.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoroisoquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoroisoquinoline-3-carboxylic acid (CID 68549725) is 6-fluoroisoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoroisoquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoroisoquinoline-3-carboxylic acid is O=C(O)c1cc2cc(F)ccc2cn1.
What is the InChIKey of 6-fluoroisoquinoline-3-carboxylic acid?
The InChIKey is LOTSIKAINFRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14).
What are the key properties of 6-fluoroisoquinoline-3-carboxylic acid?
6-fluoroisoquinoline-3-carboxylic acid has a molecular weight of 191.16 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 68549725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).