8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

C11H7FN2O3 — CID 75357488

IUPAC8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1COc1ccc(F)cc1-2
InChIInChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9-7(4-17-8)10(11(15)16)14-13-9/h1-3H,4H2,(H,13,14)(H,15,16)
InChIKeyZINRVTVUWKNMKX-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.81
Rot. Bonds1

About 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 75357488) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID75357488
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1COc1ccc(F)cc1-2
InChIInChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9-7(4-17-8)10(11(15)16)14-13-9/h1-3H,4H2,(H,13,14)(H,15,16)
InChIKeyZINRVTVUWKNMKX-UHFFFAOYSA-N
XLogP1.81
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 75357488) is 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is O=C(O)c1[nH]nc2c1COc1ccc(F)cc1-2.
What is the InChIKey of 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is ZINRVTVUWKNMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-5-1-2-8-6(3-5)9-7(4-17-8)10(11(15)16)14-13-9/h1-3H,4H2,(H,13,14)(H,15,16).
What are the key properties of 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 234.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 75357488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).