2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C12H11ClFN3 — CID 156786923

IUPAC2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c([nH]2)CNCC3)c(Cl)c1
InChIInChI=1S/C12H11ClFN3/c13-9-5-7(14)1-2-8(9)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2,(H,16,17)
InChIKeySYANPZWOYVKMCK-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.51
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 156786923) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID156786923
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c([nH]2)CNCC3)c(Cl)c1
InChIInChI=1S/C12H11ClFN3/c13-9-5-7(14)1-2-8(9)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2,(H,16,17)
InChIKeySYANPZWOYVKMCK-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 156786923) is 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nc3c([nH]2)CNCC3)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is SYANPZWOYVKMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-9-5-7(14)1-2-8(9)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2,(H,16,17).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 251.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 156786923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).