2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine

C15H13ClIN3 — CID 79293501

IUPAC2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2-c1ccc(I)cc1
InChIInChI=1S/C15H13ClIN3/c1-9-7-8-18-15-13(9)19-14(10(2)16)20(15)12-5-3-11(17)4-6-12/h3-8,10H,1-2H3
InChIKeyBQTAKDWAMYPDDS-UHFFFAOYSA-N
MW397.65 g/mol
LogP4.63
Rot. Bonds2

About 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293501) has the molecular formula C15H13ClIN3 and a molecular weight of 397.65 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293501
Molecular FormulaC15H13ClIN3
Molecular Weight397.65 g/mol
Exact Mass396.98
IUPAC Name2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2-c1ccc(I)cc1
InChIInChI=1S/C15H13ClIN3/c1-9-7-8-18-15-13(9)19-14(10(2)16)20(15)12-5-3-11(17)4-6-12/h3-8,10H,1-2H3
InChIKeyBQTAKDWAMYPDDS-UHFFFAOYSA-N
XLogP4.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79275780
2-(1-chloroethyl)-7-methyl-3-thiophen-3-ylimidazo[4,5-b]pyridine
CID 79293390
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 79293274
3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107601617
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
5-(1-chloroethyl)-1-ethyl-6-(4-iodophenyl)-3-methylimidazo[4,5-d]pyrazole
CID 79283661
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 82950142
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine (CID 79293501) is 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(C(C)Cl)n2-c1ccc(I)cc1.
What is the InChIKey of 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is BQTAKDWAMYPDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3/c1-9-7-8-18-15-13(9)19-14(10(2)16)20(15)12-5-3-11(17)4-6-12/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 397.65 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).