ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate

C10H9ClN2O2 — CID 97295073

IUPACethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=c2nccc(Cl)c2=NC1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-5-13-9-7(11)3-4-12-8(6)9/h3-4H,2,5H2,1H3
InChIKeyVGSFNUBIJBJULS-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.08
Rot. Bonds2

About ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate

ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate (PubChem CID 97295073) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate
PubChem CID97295073
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Nameethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=c2nccc(Cl)c2=NC1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-5-13-9-7(11)3-4-12-8(6)9/h3-4H,2,5H2,1H3
InChIKeyVGSFNUBIJBJULS-UHFFFAOYSA-N
XLogP0.08
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate (CID 97295073) is ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate is CCOC(=O)C1=c2nccc(Cl)c2=NC1.
What is the InChIKey of ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate?
The InChIKey is VGSFNUBIJBJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-5-13-9-7(11)3-4-12-8(6)9/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate?
ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-2H-pyrrolo[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 97295073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).