2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

C10H6ClFN2O3 — CID 67363008

IUPAC2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2cccc(Cl)c2F)[nH]1
InChIInChI=1S/C10H6ClFN2O3/c11-5-2-1-3-7(9(5)12)14-8(15)4-6(13-14)10(16)17/h1-4,13H,(H,16,17)
InChIKeyKJLACJGULSUTTF-UHFFFAOYSA-N
MW256.62 g/mol
LogP1.66
Rot. Bonds2

About 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 67363008) has the molecular formula C10H6ClFN2O3 and a molecular weight of 256.62 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID67363008
Molecular FormulaC10H6ClFN2O3
Molecular Weight256.62 g/mol
Exact Mass256.01
IUPAC Name2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2cccc(Cl)c2F)[nH]1
InChIInChI=1S/C10H6ClFN2O3/c11-5-2-1-3-7(9(5)12)14-8(15)4-6(13-14)10(16)17/h1-4,13H,(H,16,17)
InChIKeyKJLACJGULSUTTF-UHFFFAOYSA-N
XLogP1.66
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (CID 67363008) is 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(-c2cccc(Cl)c2F)[nH]1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is KJLACJGULSUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O3/c11-5-2-1-3-7(9(5)12)14-8(15)4-6(13-14)10(16)17/h1-4,13H,(H,16,17).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 256.62 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 67363008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).