6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid

C10H6F3N3O2 — CID 118173124

IUPAC6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESC1=CC(=NC(=C1)C(=O)O)C2=C(NN=C2)C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)8-5(4-14-16-8)6-2-1-3-7(15-6)9(17)18/h1-4H,(H,14,16)(H,17,18)
InChIKeyIESLGYXVECXPSI-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.60
Rot. Bonds2

About 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid

6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid (PubChem CID 118173124) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid
PubChem CID118173124
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESC1=CC(=NC(=C1)C(=O)O)C2=C(NN=C2)C(F)(F)F
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)8-5(4-14-16-8)6-2-1-3-7(15-6)9(17)18/h1-4H,(H,14,16)(H,17,18)
InChIKeyIESLGYXVECXPSI-UHFFFAOYSA-N
XLogP1.60
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity324

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 665156
5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrochloride
CID 12003791
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
5-(2-fluoro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid;hydrobromide
CID 52947887
5-methyl-4-[(3-pyridin-4-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71455285
5-methyl-4-[(3-pyridin-3-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71458925
3-[1-[(4-fluorophenyl)methyl]-4-phenyl-pyrrol-3-yl]-1H-pyrazole-5-carboxylic acid
CID 5278356
3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid
CID 3159715
5-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3159716
4-(Pyridin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 14171457
5-(1H-pyrrol-3-yl)-1H-pyrazole-3-carboxylic acid
CID 136327238

Frequently Asked Questions

What is the IUPAC name of 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid?
The IUPAC name of 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid (CID 118173124) is 6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid?
The canonical SMILES for 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid is C1=CC(=NC(=C1)C(=O)O)C2=C(NN=C2)C(F)(F)F.
What is the InChIKey of 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid?
The InChIKey is IESLGYXVECXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)8-5(4-14-16-8)6-2-1-3-7(15-6)9(17)18/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid?
6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid is sourced from PubChem (CID 118173124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).