3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid

C12H11FN2O2 — CID 121199751

IUPAC3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1n2CCC(F)C1
InChIInChI=1S/C12H11FN2O2/c13-8-3-4-15-10-2-1-7(12(16)17)5-9(10)14-11(15)6-8/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyXYIRDEVSSMFVOY-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.02
Rot. Bonds1

About 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid

3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid (PubChem CID 121199751) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
PubChem CID121199751
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1n2CCC(F)C1
InChIInChI=1S/C12H11FN2O2/c13-8-3-4-15-10-2-1-7(12(16)17)5-9(10)14-11(15)6-8/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyXYIRDEVSSMFVOY-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid?
The IUPAC name of 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid (CID 121199751) is 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid.
What is the SMILES notation for 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid?
The canonical SMILES for 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc1n2CCC(F)C1.
What is the InChIKey of 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid?
The InChIKey is XYIRDEVSSMFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-8-3-4-15-10-2-1-7(12(16)17)5-9(10)14-11(15)6-8/h1-2,5,8H,3-4,6H2,(H,16,17).
What are the key properties of 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid?
3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid is sourced from PubChem (CID 121199751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).