ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate

C13H16ClN3O2 — CID 176883473

IUPACethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate
SMILESCCCc1nc(Cl)cc2[nH]c(CC(=O)OCC)nc12
InChIInChI=1S/C13H16ClN3O2/c1-3-5-8-13-9(6-10(14)15-8)16-11(17-13)7-12(18)19-4-2/h6H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyNKZANKDDUXKNMF-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.67
Rot. Bonds5

About ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate

ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate (PubChem CID 176883473) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate
PubChem CID176883473
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Nameethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate
SMILESCCCc1nc(Cl)cc2[nH]c(CC(=O)OCC)nc12
InChIInChI=1S/C13H16ClN3O2/c1-3-5-8-13-9(6-10(14)15-8)16-11(17-13)7-12(18)19-4-2/h6H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyNKZANKDDUXKNMF-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate (CID 176883473) is ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate is CCCc1nc(Cl)cc2[nH]c(CC(=O)OCC)nc12.
What is the InChIKey of ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate?
The InChIKey is NKZANKDDUXKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-5-8-13-9(6-10(14)15-8)16-11(17-13)7-12(18)19-4-2/h6H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate?
ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate has a molecular weight of 281.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-4-propyl-1H-imidazo[4,5-c]pyridin-2-yl)acetate is sourced from PubChem (CID 176883473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).