5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid

C9H6FN3O2 — CID 150017109

IUPAC5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccnc2)c1F
InChIInChI=1S/C9H6FN3O2/c10-8-7(9(14)15)5-12-13(8)6-2-1-3-11-4-6/h1-5H,(H,14,15)
InChIKeyDEMPEEWHDLSRKI-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.10
Rot. Bonds2

About 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid

5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid (PubChem CID 150017109) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid
PubChem CID150017109
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccnc2)c1F
InChIInChI=1S/C9H6FN3O2/c10-8-7(9(14)15)5-12-13(8)6-2-1-3-11-4-6/h1-5H,(H,14,15)
InChIKeyDEMPEEWHDLSRKI-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-pyrazole-4-carboxylic acid
CID 121026
1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3159617
1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 8027170
1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 44454552
5-methyl-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 22267819
1-(2-Fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 24710786
1-Pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 24252939
1-Pyridin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 58374142
1-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid
CID 14994499
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((3-pyridinylamino)sulfonyl)-
CID 3075391
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-3-pyridinylamino)sulfonyl)-
CID 3075393
5-fluoro-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2774738

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid (CID 150017109) is 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccnc2)c1F.
What is the InChIKey of 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is DEMPEEWHDLSRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-8-7(9(14)15)5-12-13(8)6-2-1-3-11-4-6/h1-5H,(H,14,15).
What are the key properties of 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid?
5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 207.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pyridin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 150017109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).