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

C15H12Cl3N3O — CID 162671156

IUPAC6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(CCCOc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12Cl3N3O/c16-9-6-13-15(19-8-9)21-14(20-13)2-1-5-22-10-3-4-11(17)12(18)7-10/h3-4,6-8H,1-2,5H2,(H,19,20,21)
InChIKeySJVAVVWEOTXJQQ-UHFFFAOYSA-N
MW356.64 g/mol
LogP4.93
Rot. Bonds5

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

6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 162671156) has the molecular formula C15H12Cl3N3O and a molecular weight of 356.64 g/mol. Its IUPAC name is 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine
PubChem CID162671156
Molecular FormulaC15H12Cl3N3O
Molecular Weight356.64 g/mol
Exact Mass355.00
IUPAC Name6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(CCCOc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12Cl3N3O/c16-9-6-13-15(19-8-9)21-14(20-13)2-1-5-22-10-3-4-11(17)12(18)7-10/h3-4,6-8H,1-2,5H2,(H,19,20,21)
InChIKeySJVAVVWEOTXJQQ-UHFFFAOYSA-N
XLogP4.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851430
6-chloro-N-(4-methoxyphenyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 4159072
N-(3-chloro-4-phenoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851290
N-[3-chloro-4-(2-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851429
1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3,4-dichlorophenyl)urea
CID 56966273
2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 162675793
2-[2-(3-Chloro-propoxy)-phenyl]-3H-imidazo[4,5-b]pyridine
CID 10401818
6-Chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine
CID 122190755
6-chloro-2-[3-(3-chloro-4-methylphenoxy)propyl]-1H-imidazo[4,5-b]pyridine
CID 162666139
HIV-1 inhibitor-37
CID 162671625
N-[4-(3,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 168269942
2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13175364

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine (CID 162671156) is 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine is Clc1cnc2nc(CCCOc3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is SJVAVVWEOTXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3O/c16-9-6-13-15(19-8-9)21-14(20-13)2-1-5-22-10-3-4-11(17)12(18)7-10/h3-4,6-8H,1-2,5H2,(H,19,20,21).
What are the key properties of 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine?
6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 356.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(3,4-dichlorophenoxy)propyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162671156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).