3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H6ClFN2O3 — CID 136991076

IUPAC3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)cc(Cl)c2O)n[nH]1
InChIInChI=1S/C10H6ClFN2O3/c11-6-2-4(12)1-5(9(6)15)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyJDCLZPPQQKYOGG-UHFFFAOYSA-N
MW256.62 g/mol
LogP2.27
Rot. Bonds2

About 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136991076) has the molecular formula C10H6ClFN2O3 and a molecular weight of 256.62 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID136991076
Molecular FormulaC10H6ClFN2O3
Molecular Weight256.62 g/mol
Exact Mass256.01
IUPAC Name3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)cc(Cl)c2O)n[nH]1
InChIInChI=1S/C10H6ClFN2O3/c11-6-2-4(12)1-5(9(6)15)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyJDCLZPPQQKYOGG-UHFFFAOYSA-N
XLogP2.27
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 136991076) is 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(F)cc(Cl)c2O)n[nH]1.
What is the InChIKey of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is JDCLZPPQQKYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O3/c11-6-2-4(12)1-5(9(6)15)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17).
What are the key properties of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 256.62 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136991076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).