6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine

C14H20ClN3O3 — CID 135156975

IUPAC6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOC(COCc1nc2cnc(Cl)cc2n1C(C)C)OC
InChIInChI=1S/C14H20ClN3O3/c1-9(2)18-11-5-12(15)16-6-10(11)17-13(18)7-21-8-14(19-3)20-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyQVHKXIAXQUAZDT-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.80
Rot. Bonds7

About 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine

6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 135156975) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID135156975
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOC(COCc1nc2cnc(Cl)cc2n1C(C)C)OC
InChIInChI=1S/C14H20ClN3O3/c1-9(2)18-11-5-12(15)16-6-10(11)17-13(18)7-21-8-14(19-3)20-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyQVHKXIAXQUAZDT-UHFFFAOYSA-N
XLogP2.80
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine (CID 135156975) is 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine is COC(COCc1nc2cnc(Cl)cc2n1C(C)C)OC.
What is the InChIKey of 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is QVHKXIAXQUAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9(2)18-11-5-12(15)16-6-10(11)17-13(18)7-21-8-14(19-3)20-4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine?
6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 313.79 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 135156975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).