8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

C12H9FN2O3 — CID 67305081

IUPAC8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESCc1cc2c(cc1F)-c1n[nH]c(C(=O)O)c1CO2
InChIInChI=1S/C12H9FN2O3/c1-5-2-9-6(3-8(5)13)10-7(4-18-9)11(12(16)17)15-14-10/h2-3H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyOPNOUNDBAZAARF-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.11
Rot. Bonds1

About 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 67305081) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID67305081
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESCc1cc2c(cc1F)-c1n[nH]c(C(=O)O)c1CO2
InChIInChI=1S/C12H9FN2O3/c1-5-2-9-6(3-8(5)13)10-7(4-18-9)11(12(16)17)15-14-10/h2-3H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyOPNOUNDBAZAARF-UHFFFAOYSA-N
XLogP2.11
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 67305081) is 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is Cc1cc2c(cc1F)-c1n[nH]c(C(=O)O)c1CO2.
What is the InChIKey of 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is OPNOUNDBAZAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-5-2-9-6(3-8(5)13)10-7(4-18-9)11(12(16)17)15-14-10/h2-3H,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid?
8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 67305081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).