6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine

C14H17Cl2N3 — CID 113475680

IUPAC6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Cl)cnc2n1CC(C)C1CC1
InChIInChI=1S/C14H17Cl2N3/c1-8(10-3-4-10)7-19-13(9(2)15)18-12-5-11(16)6-17-14(12)19/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyRMLRXFFBQMYPEL-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.43
Rot. Bonds4

About 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine

6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine (PubChem CID 113475680) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
PubChem CID113475680
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Cl)cnc2n1CC(C)C1CC1
InChIInChI=1S/C14H17Cl2N3/c1-8(10-3-4-10)7-19-13(9(2)15)18-12-5-11(16)6-17-14(12)19/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyRMLRXFFBQMYPEL-UHFFFAOYSA-N
XLogP4.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.43
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 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine (CID 113475680) is 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Cl)cnc2n1CC(C)C1CC1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is RMLRXFFBQMYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-8(10-3-4-10)7-19-13(9(2)15)18-12-5-11(16)6-17-14(12)19/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine?
6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 298.22 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 113475680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).