7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one

C7H5ClN2O — CID 10749642

IUPAC7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESO=C1Cc2ccnc(Cl)c2N1
InChIInChI=1S/C7H5ClN2O/c8-7-6-4(1-2-9-7)3-5(11)10-6/h1-2H,3H2,(H,10,11)
InChIKeyJHSXMNUYBFUKFP-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.23
Rot. Bonds

About 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one

7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one (PubChem CID 10749642) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
PubChem CID10749642
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESO=C1Cc2ccnc(Cl)c2N1
InChIInChI=1S/C7H5ClN2O/c8-7-6-4(1-2-9-7)3-5(11)10-6/h1-2H,3H2,(H,10,11)
InChIKeyJHSXMNUYBFUKFP-UHFFFAOYSA-N
XLogP1.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.23
H-Bond Donors ≤ 51
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 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one (CID 10749642) is 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one is O=C1Cc2ccnc(Cl)c2N1.
What is the InChIKey of 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The InChIKey is JHSXMNUYBFUKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-7-6-4(1-2-9-7)3-5(11)10-6/h1-2H,3H2,(H,10,11).
What are the key properties of 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one has a molecular weight of 168.58 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 10749642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).