ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

C10H9ClN2O2 — CID 46839972

IUPACethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccnc(Cl)c2[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-6-3-4-12-9(11)8(6)13-7/h3-5,13H,2H2,1H3
InChIKeyBBYNLXLFZMEYIO-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.39
Rot. Bonds2

About ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 46839972) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID46839972
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Nameethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccnc(Cl)c2[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-6-3-4-12-9(11)8(6)13-7/h3-5,13H,2H2,1H3
InChIKeyBBYNLXLFZMEYIO-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 46839972) is ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2ccnc(Cl)c2[nH]1.
What is the InChIKey of ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is BBYNLXLFZMEYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-6-3-4-12-9(11)8(6)13-7/h3-5,13H,2H2,1H3.
What are the key properties of ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 46839972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).