1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate

C10H9ClN2O2 — CID 174446566

IUPAC1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C10H9ClN2O2/c1-6(15-5-14)8-4-12-10-7(8)2-3-9(11)13-10/h2-6H,1H3,(H,12,13)
InChIKeyPCDRYVPAGMWJFX-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.45
Rot. Bonds3

About 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate

1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate (PubChem CID 174446566) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
PubChem CID174446566
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C10H9ClN2O2/c1-6(15-5-14)8-4-12-10-7(8)2-3-9(11)13-10/h2-6H,1H3,(H,12,13)
InChIKeyPCDRYVPAGMWJFX-UHFFFAOYSA-N
XLogP2.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate?
The IUPAC name of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate (CID 174446566) is 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate.
What is the SMILES notation for 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate?
The canonical SMILES for 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate is CC(OC=O)c1c[nH]c2nc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate?
The InChIKey is PCDRYVPAGMWJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6(15-5-14)8-4-12-10-7(8)2-3-9(11)13-10/h2-6H,1H3,(H,12,13).
What are the key properties of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate?
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate has a molecular weight of 224.65 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate is sourced from PubChem (CID 174446566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).