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

C13H17Cl2N3 — CID 103977571

IUPAC5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCC(CC)c1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H17Cl2N3/c1-3-5-6-8(4-2)12-16-10-7-9(14)11(15)17-13(10)18-12/h7-8H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyRCSLQRFHMWHSDF-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.95
Rot. Bonds5

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

5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 103977571) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID103977571
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCC(CC)c1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H17Cl2N3/c1-3-5-6-8(4-2)12-16-10-7-9(14)11(15)17-13(10)18-12/h7-8H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyRCSLQRFHMWHSDF-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.95
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-hexan-2-yl-1H-imidazo[4,5-b]pyridine
CID 114246579
5,6-difluoro-2-heptan-3-yl-1H-benzimidazole
CID 63399395
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
2-heptan-3-yl-1H-benzimidazole-4-carbonitrile
CID 113445156
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
2-heptan-3-yl-4-methylsulfonyl-1H-benzimidazole
CID 82007530
2-heptan-3-yl-4,5-dimethylidene-1H-pyrimidin-6-one
CID 143002522
5,6-dichloro-2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 103977550
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
2-undecan-5-yl-1H-benzimidazole-5,6-dicarbonitrile
CID 66630267

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine (CID 103977571) is 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine is CCCCC(CC)c1nc2nc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is RCSLQRFHMWHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3/c1-3-5-6-8(4-2)12-16-10-7-9(14)11(15)17-13(10)18-12/h7-8H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 286.21 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-heptan-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).