5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine

C12H9Cl2N3O — CID 113360932

IUPAC5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(CCc3ccco3)nc2nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-6-9-12(17-11(8)14)16-10(15-9)4-3-7-2-1-5-18-7/h1-2,5-6H,3-4H2,(H,15,16,17)
InChIKeyFUVIWVXBRKLQMJ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.64
Rot. Bonds3

About 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 113360932) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID113360932
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(CCc3ccco3)nc2nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-6-9-12(17-11(8)14)16-10(15-9)4-3-7-2-1-5-18-7/h1-2,5-6H,3-4H2,(H,15,16,17)
InChIKeyFUVIWVXBRKLQMJ-UHFFFAOYSA-N
XLogP3.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(furan-2-yl)ethyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821939
5,6-dichloro-2-(phenylsulfanylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977563
5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977323
6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
CID 103436025
2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582740
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine
CID 43513854
6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 82142267
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792
6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 23026021
5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
CID 11846692

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 113360932) is 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(CCc3ccco3)nc2nc1Cl.
What is the InChIKey of 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is FUVIWVXBRKLQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-6-9-12(17-11(8)14)16-10(15-9)4-3-7-2-1-5-18-7/h1-2,5-6H,3-4H2,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 282.13 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 113360932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).