7-fluoroisoquinoline-3-carboxylic acid

C10H6FNO2 — CID 23087869

IUPAC7-fluoroisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(F)cc2cn1
InChIInChI=1S/C10H6FNO2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,(H,13,14)
InChIKeyDZAISYKPTDZCCU-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.07
Rot. Bonds1

About 7-fluoroisoquinoline-3-carboxylic acid

7-fluoroisoquinoline-3-carboxylic acid (PubChem CID 23087869) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 7-fluoroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoroisoquinoline-3-carboxylic acid
PubChem CID23087869
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name7-fluoroisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(F)cc2cn1
InChIInChI=1S/C10H6FNO2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,(H,13,14)
InChIKeyDZAISYKPTDZCCU-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 7-fluoroisoquinoline-3-carboxylic acid?
The IUPAC name of 7-fluoroisoquinoline-3-carboxylic acid (CID 23087869) is 7-fluoroisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoroisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoroisoquinoline-3-carboxylic acid is O=C(O)c1cc2ccc(F)cc2cn1.
What is the InChIKey of 7-fluoroisoquinoline-3-carboxylic acid?
The InChIKey is DZAISYKPTDZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,(H,13,14).
What are the key properties of 7-fluoroisoquinoline-3-carboxylic acid?
7-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 7-fluoroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 23087869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).