2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid

C9H6FN3O2 — CID 79717873

IUPAC2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cn2)[nH]1
InChIInChI=1S/C9H6FN3O2/c10-5-1-2-6(11-3-5)8-12-4-7(13-8)9(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyXONLULCDIWXRQM-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.31
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid

2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid (PubChem CID 79717873) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
PubChem CID79717873
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cn2)[nH]1
InChIInChI=1S/C9H6FN3O2/c10-5-1-2-6(11-3-5)8-12-4-7(13-8)9(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyXONLULCDIWXRQM-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid (CID 79717873) is 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(F)cn2)[nH]1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is XONLULCDIWXRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-5-1-2-6(11-3-5)8-12-4-7(13-8)9(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid?
2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 207.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 79717873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).