1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid

C10H6FN3O3 — CID 165460662

IUPAC1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESO=Cc1ccnc(-n2cc(C(=O)O)cn2)c1F
InChIInChI=1S/C10H6FN3O3/c11-8-6(5-15)1-2-12-9(8)14-4-7(3-13-14)10(16)17/h1-5H,(H,16,17)
InChIKeyGMAYRIAOOLKELJ-UHFFFAOYSA-N
MW235.17 g/mol
LogP0.92
Rot. Bonds3

About 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid

1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid (PubChem CID 165460662) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid
PubChem CID165460662
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESO=Cc1ccnc(-n2cc(C(=O)O)cn2)c1F
InChIInChI=1S/C10H6FN3O3/c11-8-6(5-15)1-2-12-9(8)14-4-7(3-13-14)10(16)17/h1-5H,(H,16,17)
InChIKeyGMAYRIAOOLKELJ-UHFFFAOYSA-N
XLogP0.92
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84796755
1-(2-methylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 62770775
1-(4-chloro-3-fluoro-2-methylphenyl)pyrazole-4-carboxylic acid;propane
CID 145240893
3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 165472351
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 106796777
1-(2-cyano-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 79522262
1-(4-bromo-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121157
1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
CID 103583920
1-(3-bromo-4-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121228
[2-(4-chloropyrazol-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383210
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid (CID 165460662) is 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid is O=Cc1ccnc(-n2cc(C(=O)O)cn2)c1F.
What is the InChIKey of 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The InChIKey is GMAYRIAOOLKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-8-6(5-15)1-2-12-9(8)14-4-7(3-13-14)10(16)17/h1-5H,(H,16,17).
What are the key properties of 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid?
1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid has a molecular weight of 235.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 165460662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).