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

C11H11Cl2N3O — CID 103977579

IUPAC5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC1CCOC1c1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H11Cl2N3O/c1-5-2-3-17-8(5)11-14-7-4-6(12)9(13)15-10(7)16-11/h4-5,8H,2-3H2,1H3,(H,14,15,16)
InChIKeyYTQGPYGFGJOTIJ-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.36
Rot. Bonds1

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

5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977579) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID103977579
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC1CCOC1c1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H11Cl2N3O/c1-5-2-3-17-8(5)11-14-7-4-6(12)9(13)15-10(7)16-11/h4-5,8H,2-3H2,1H3,(H,14,15,16)
InChIKeyYTQGPYGFGJOTIJ-UHFFFAOYSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.36
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

5,6-dichloro-2-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977441
5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 103977518
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977352
2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carbonitrile
CID 104720488
6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436206
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360918
2-(3-methyloxolan-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82008360
5,6-dichloro-2-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine
CID 113360917
5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 103977550
4-(5,6-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-1,3-thiazole
CID 113360922
5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
CID 103977323
2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
CID 107750991

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 103977579) is 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine is CC1CCOC1c1nc2nc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is YTQGPYGFGJOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-5-2-3-17-8(5)11-14-7-4-6(12)9(13)15-10(7)16-11/h4-5,8H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 272.13 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).