2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

C13H12FN3O2 — CID 70707214

IUPAC2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1NCCc2[nH]c(-c3ccccc3F)nc21
InChIInChI=1S/C13H12FN3O2/c14-8-4-2-1-3-7(8)12-16-9-5-6-15-11(13(18)19)10(9)17-12/h1-4,11,15H,5-6H2,(H,16,17)(H,18,19)
InChIKeyLYIPJJMJNDLJDH-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.49
Rot. Bonds2

About 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70707214) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70707214
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1NCCc2[nH]c(-c3ccccc3F)nc21
InChIInChI=1S/C13H12FN3O2/c14-8-4-2-1-3-7(8)12-16-9-5-6-15-11(13(18)19)10(9)17-12/h1-4,11,15H,5-6H2,(H,16,17)(H,18,19)
InChIKeyLYIPJJMJNDLJDH-UHFFFAOYSA-N
XLogP1.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 70707214) is 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)C1NCCc2[nH]c(-c3ccccc3F)nc21.
What is the InChIKey of 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is LYIPJJMJNDLJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-8-4-2-1-3-7(8)12-16-9-5-6-15-11(13(18)19)10(9)17-12/h1-4,11,15H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70707214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).