6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

C10H10FNO2 — CID 89195740

IUPAC6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
SMILESO=C(O)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C10H10FNO2/c11-9-2-1-8-6-12(10(13)14)4-3-7(8)5-9/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyOIPXQYGUQUFLCH-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.86
Rot. Bonds

About 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (PubChem CID 89195740) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
PubChem CID89195740
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
SMILESO=C(O)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C10H10FNO2/c11-9-2-1-8-6-12(10(13)14)4-3-7(8)5-9/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyOIPXQYGUQUFLCH-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The IUPAC name of 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (CID 89195740) is 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The canonical SMILES for 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid is O=C(O)N1CCc2cc(F)ccc2C1.
What is the InChIKey of 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
The InChIKey is OIPXQYGUQUFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9-2-1-8-6-12(10(13)14)4-3-7(8)5-9/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid?
6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid is sourced from PubChem (CID 89195740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).