2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine

C11H14ClN3 — CID 57057279

IUPAC2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(Cl)nc21
InChIInChI=1S/C11H14ClN3/c1-14(2)7-8-15-6-5-9-3-4-10(12)13-11(9)15/h3-6H,7-8H2,1-2H3
InChIKeyIFMAJLIVYZIWIP-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.25
Rot. Bonds3

About 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine

2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine (PubChem CID 57057279) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
PubChem CID57057279
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(Cl)nc21
InChIInChI=1S/C11H14ClN3/c1-14(2)7-8-15-6-5-9-3-4-10(12)13-11(9)15/h3-6H,7-8H2,1-2H3
InChIKeyIFMAJLIVYZIWIP-UHFFFAOYSA-N
XLogP2.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine (CID 57057279) is 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine is CN(C)CCn1ccc2ccc(Cl)nc21.
What is the InChIKey of 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
The InChIKey is IFMAJLIVYZIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-14(2)7-8-15-6-5-9-3-4-10(12)13-11(9)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine?
2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine has a molecular weight of 223.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 57057279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).