3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid

C14H10ClFN2O3 — CID 162357721

IUPAC3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid
SMILESO=C(O)c1c(Oc2cccc(Cl)c2F)nnc2c1CCC2
InChIInChI=1S/C14H10ClFN2O3/c15-8-4-2-6-10(12(8)16)21-13-11(14(19)20)7-3-1-5-9(7)17-18-13/h2,4,6H,1,3,5H2,(H,19,20)
InChIKeyNSKXFSXKFAIOMN-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.25
Rot. Bonds3

About 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid

3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid (PubChem CID 162357721) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid
PubChem CID162357721
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid
SMILESO=C(O)c1c(Oc2cccc(Cl)c2F)nnc2c1CCC2
InChIInChI=1S/C14H10ClFN2O3/c15-8-4-2-6-10(12(8)16)21-13-11(14(19)20)7-3-1-5-9(7)17-18-13/h2,4,6H,1,3,5H2,(H,19,20)
InChIKeyNSKXFSXKFAIOMN-UHFFFAOYSA-N
XLogP3.25
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid (CID 162357721) is 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid is O=C(O)c1c(Oc2cccc(Cl)c2F)nnc2c1CCC2.
What is the InChIKey of 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid?
The InChIKey is NSKXFSXKFAIOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-4-2-6-10(12(8)16)21-13-11(14(19)20)7-3-1-5-9(7)17-18-13/h2,4,6H,1,3,5H2,(H,19,20).
What are the key properties of 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid?
3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid has a molecular weight of 308.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenoxy)-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylic acid is sourced from PubChem (CID 162357721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).