5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine

C8H8ClN3 — CID 177331332

IUPAC5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
SMILESCCc1cc(Cl)nc2nc[nH]c12
InChIInChI=1S/C8H8ClN3/c1-2-5-3-6(9)12-8-7(5)10-4-11-8/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyDTMYAZPWAUGWRJ-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.17
Rot. Bonds1

About 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine

5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine (PubChem CID 177331332) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
PubChem CID177331332
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
SMILESCCc1cc(Cl)nc2nc[nH]c12
InChIInChI=1S/C8H8ClN3/c1-2-5-3-6(9)12-8-7(5)10-4-11-8/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyDTMYAZPWAUGWRJ-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.17
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-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
CID 5375533
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882
5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 14391780
6-ethyl-2-methyl-7H-purine
CID 176927465
2-ethyl-7H-purin-6-amine
CID 19795383
5,6-diethyl-1H-imidazo[4,5-b]pyridine
CID 89128817
2-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-7H-purine
CID 104787488
2,6-dichloro-7H-purine
CID 10750289
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine (CID 177331332) is 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine is CCc1cc(Cl)nc2nc[nH]c12.
What is the InChIKey of 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is DTMYAZPWAUGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-2-5-3-6(9)12-8-7(5)10-4-11-8/h3-4H,2H2,1H3,(H,10,11,12).
What are the key properties of 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine?
5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 181.63 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 177331332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).