2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

C10H14ClN3O — CID 83893060

IUPAC2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(C)C1CCn2c(nc(Cl)c2C=O)C1
InChIInChI=1S/C10H14ClN3O/c1-13(2)7-3-4-14-8(6-15)10(11)12-9(14)5-7/h6-7H,3-5H2,1-2H3
InChIKeyPSPRGEYLBJOLLD-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.23
Rot. Bonds2

About 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 83893060) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID83893060
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(C)C1CCn2c(nc(Cl)c2C=O)C1
InChIInChI=1S/C10H14ClN3O/c1-13(2)7-3-4-14-8(6-15)10(11)12-9(14)5-7/h6-7H,3-5H2,1-2H3
InChIKeyPSPRGEYLBJOLLD-UHFFFAOYSA-N
XLogP1.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 83893060) is 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is CN(C)C1CCn2c(nc(Cl)c2C=O)C1.
What is the InChIKey of 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is PSPRGEYLBJOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-13(2)7-3-4-14-8(6-15)10(11)12-9(14)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 227.69 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83893060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).