6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine

C14H11Cl3N4O — CID 162671625

IUPAC6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(CCCOc3cnc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H11Cl3N4O/c15-8-4-11-14(19-6-8)21-12(20-11)2-1-3-22-9-5-10(16)13(17)18-7-9/h4-7H,1-3H2,(H,19,20,21)
InChIKeyHNVFNJIXFYOHNH-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.32
Rot. Bonds5

About 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine

6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 162671625) has the molecular formula C14H11Cl3N4O and a molecular weight of 357.63 g/mol. Its IUPAC name is 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine
PubChem CID162671625
Molecular FormulaC14H11Cl3N4O
Molecular Weight357.63 g/mol
Exact Mass356.00
IUPAC Name6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(CCCOc3cnc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H11Cl3N4O/c15-8-4-11-14(19-6-8)21-12(20-11)2-1-3-22-9-5-10(16)13(17)18-7-9/h4-7H,1-3H2,(H,19,20,21)
InChIKeyHNVFNJIXFYOHNH-UHFFFAOYSA-N
XLogP4.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine (CID 162671625) is 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine is Clc1cnc2nc(CCCOc3cnc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is HNVFNJIXFYOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N4O/c15-8-4-11-14(19-6-8)21-12(20-11)2-1-3-22-9-5-10(16)13(17)18-7-9/h4-7H,1-3H2,(H,19,20,21).
What are the key properties of 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine?
6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 357.63 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-[(5,6-dichloro-3-pyridinyl)oxy]propyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162671625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).