2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

C16H12FN3O2 — CID 86269493

IUPAC2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(Cc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C16H12FN3O2/c17-13-3-1-11(2-4-13)8-20-9-15(19-10-20)14-7-12(16(21)22)5-6-18-14/h1-7,9-10H,8H2,(H,21,22)
InChIKeyTYQVGBHPIVDCJP-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269493) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269493
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(Cc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C16H12FN3O2/c17-13-3-1-11(2-4-13)8-20-9-15(19-10-20)14-7-12(16(21)22)5-6-18-14/h1-7,9-10H,8H2,(H,21,22)
InChIKeyTYQVGBHPIVDCJP-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 86269493) is 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(Cc3ccc(F)cc3)cn2)c1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is TYQVGBHPIVDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-3-1-11(2-4-13)8-20-9-15(19-10-20)14-7-12(16(21)22)5-6-18-14/h1-7,9-10H,8H2,(H,21,22).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).