5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine

C13H7Cl2F2N3 — CID 103977616

IUPAC5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(Cc2nc3nc(Cl)c(Cl)cc3[nH]2)cc1F
InChIInChI=1S/C13H7Cl2F2N3/c14-7-5-10-13(20-12(7)15)19-11(18-10)4-6-1-2-8(16)9(17)3-6/h1-3,5H,4H2,(H,18,19,20)
InChIKeyLYNOPNCYOPKWDF-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.13
Rot. Bonds2

About 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 103977616) has the molecular formula C13H7Cl2F2N3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID103977616
Molecular FormulaC13H7Cl2F2N3
Molecular Weight314.12 g/mol
Exact Mass313.00
IUPAC Name5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(Cc2nc3nc(Cl)c(Cl)cc3[nH]2)cc1F
InChIInChI=1S/C13H7Cl2F2N3/c14-7-5-10-13(20-12(7)15)19-11(18-10)4-6-1-2-8(16)9(17)3-6/h1-3,5H,4H2,(H,18,19,20)
InChIKeyLYNOPNCYOPKWDF-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine (CID 103977616) is 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine is Fc1ccc(Cc2nc3nc(Cl)c(Cl)cc3[nH]2)cc1F.
What is the InChIKey of 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LYNOPNCYOPKWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3/c14-7-5-10-13(20-12(7)15)19-11(18-10)4-6-1-2-8(16)9(17)3-6/h1-3,5H,4H2,(H,18,19,20).
What are the key properties of 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 314.12 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[(3,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).