5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine

C12H15Cl2N3 — CID 114246579

IUPAC5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCC(C)c1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C12H15Cl2N3/c1-3-4-5-7(2)11-15-9-6-8(13)10(14)16-12(9)17-11/h6-7H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyMZIYWHVZIQAJBF-UHFFFAOYSA-N
MW272.18 g/mol
LogP4.56
Rot. Bonds4

About 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 114246579) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID114246579
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCC(C)c1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C12H15Cl2N3/c1-3-4-5-7(2)11-15-9-6-8(13)10(14)16-12(9)17-11/h6-7H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyMZIYWHVZIQAJBF-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.56
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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Related Compounds

5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine
CID 103977571
2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821838
2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 142247031
4-chloro-2-pentan-2-yl-1H-benzimidazole
CID 60978644
5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 103977550
2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole
CID 91357795
2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821798
6-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)heptan-2-amine
CID 79816332
4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
1-(2-chloro-7H-purin-8-yl)pentyl formate
CID 54466247
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine (CID 114246579) is 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine is CCCCC(C)c1nc2nc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is MZIYWHVZIQAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c1-3-4-5-7(2)11-15-9-6-8(13)10(14)16-12(9)17-11/h6-7H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 272.18 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 114246579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).