2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine

C14H10Cl3N3 — CID 79295127

IUPAC2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl3N3/c15-7-6-12-19-11-5-2-8-18-14(11)20(12)13-9(16)3-1-4-10(13)17/h1-5,8H,6-7H2
InChIKeyOZKVYAJVPPQQCA-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.51
Rot. Bonds3

About 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine (PubChem CID 79295127) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
PubChem CID79295127
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl3N3/c15-7-6-12-19-11-5-2-8-18-14(11)20(12)13-9(16)3-1-4-10(13)17/h1-5,8H,6-7H2
InChIKeyOZKVYAJVPPQQCA-UHFFFAOYSA-N
XLogP4.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828
2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107368460
3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104724676
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481512
[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 96668761

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine (CID 79295127) is 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is OZKVYAJVPPQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c15-7-6-12-19-11-5-2-8-18-14(11)20(12)13-9(16)3-1-4-10(13)17/h1-5,8H,6-7H2.
What are the key properties of 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 326.61 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79295127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).