2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine

C12H16ClN3O — CID 115322528

IUPAC2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(C(C)Cl)n(C(C)C)c2n1
InChIInChI=1S/C12H16ClN3O/c1-7(2)16-11(8(3)13)14-9-5-6-10(17-4)15-12(9)16/h5-8H,1-4H3
InChIKeyPWTIYAOVCFPRAY-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.32
Rot. Bonds3

About 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 115322528) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID115322528
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(C(C)Cl)n(C(C)C)c2n1
InChIInChI=1S/C12H16ClN3O/c1-7(2)16-11(8(3)13)14-9-5-6-10(17-4)15-12(9)16/h5-8H,1-4H3
InChIKeyPWTIYAOVCFPRAY-UHFFFAOYSA-N
XLogP3.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
CID 115322826
2-(1-chloroethyl)-3-(1-cyclopropylpropan-2-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323065
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 115322579
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(1-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432070
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
CID 106278723
N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 115322999
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407211
2-(chloromethyl)-5-methoxy-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115323110
2-(chloromethyl)-5-methoxy-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115322835

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine (CID 115322528) is 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine is COc1ccc2nc(C(C)Cl)n(C(C)C)c2n1.
What is the InChIKey of 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is PWTIYAOVCFPRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7(2)16-11(8(3)13)14-9-5-6-10(17-4)15-12(9)16/h5-8H,1-4H3.
What are the key properties of 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 253.73 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 115322528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).