6-chloropyrrolo[2,3-b]pyridin-2-one

C7H3ClN2O — CID 71773222

IUPAC6-chloropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1C=c2ccc(Cl)nc2=N1
InChIInChI=1S/C7H3ClN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-3H
InChIKeySMAFOKFVOWCZIG-UHFFFAOYSA-N
MW166.57 g/mol
LogP-0.32
Rot. Bonds

About 6-chloropyrrolo[2,3-b]pyridin-2-one

6-chloropyrrolo[2,3-b]pyridin-2-one (PubChem CID 71773222) has the molecular formula C7H3ClN2O and a molecular weight of 166.57 g/mol. Its IUPAC name is 6-chloropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloropyrrolo[2,3-b]pyridin-2-one
PubChem CID71773222
Molecular FormulaC7H3ClN2O
Molecular Weight166.57 g/mol
Exact Mass165.99
IUPAC Name6-chloropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1C=c2ccc(Cl)nc2=N1
InChIInChI=1S/C7H3ClN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-3H
InChIKeySMAFOKFVOWCZIG-UHFFFAOYSA-N
XLogP-0.32
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.57
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-chloropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 6-chloropyrrolo[2,3-b]pyridin-2-one (CID 71773222) is 6-chloropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 6-chloropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 6-chloropyrrolo[2,3-b]pyridin-2-one is O=C1C=c2ccc(Cl)nc2=N1.
What is the InChIKey of 6-chloropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is SMAFOKFVOWCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-3H.
What are the key properties of 6-chloropyrrolo[2,3-b]pyridin-2-one?
6-chloropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 166.57 g/mol, XLogP of -0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 71773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).