2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid

C15H10FN3O2 — CID 70249057

IUPAC2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C15H10FN3O2/c16-11-3-1-10(2-4-11)14-18-12(13(19-14)15(20)21)9-5-7-17-8-6-9/h1-8H,(H,18,19)(H,20,21)
InChIKeyVHTFYYOQQZXIBI-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid

2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid (PubChem CID 70249057) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
PubChem CID70249057
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccc(F)cc2)nc1-c1ccncc1
InChIInChI=1S/C15H10FN3O2/c16-11-3-1-10(2-4-11)14-18-12(13(19-14)15(20)21)9-5-7-17-8-6-9/h1-8H,(H,18,19)(H,20,21)
InChIKeyVHTFYYOQQZXIBI-UHFFFAOYSA-N
XLogP2.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid (CID 70249057) is 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(-c2ccc(F)cc2)nc1-c1ccncc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid?
The InChIKey is VHTFYYOQQZXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-3-1-10(2-4-11)14-18-12(13(19-14)15(20)21)9-5-7-17-8-6-9/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid?
2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 70249057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).