2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine

C11H12ClN3 — CID 69065688

IUPAC2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1CC1CC1
InChIInChI=1S/C11H12ClN3/c12-6-10-14-9-2-1-5-13-11(9)15(10)7-8-3-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyRGXDLEIOUOEOFP-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.58
Rot. Bonds3

About 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine (PubChem CID 69065688) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
PubChem CID69065688
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1CC1CC1
InChIInChI=1S/C11H12ClN3/c12-6-10-14-9-2-1-5-13-11(9)15(10)7-8-3-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyRGXDLEIOUOEOFP-UHFFFAOYSA-N
XLogP2.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine (CID 69065688) is 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine is ClCc1nc2cccnc2n1CC1CC1.
What is the InChIKey of 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is RGXDLEIOUOEOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-6-10-14-9-2-1-5-13-11(9)15(10)7-8-3-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 221.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 69065688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).