7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C12H10ClN3O — CID 87958660

IUPAC7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCC(c2ccnc(Cl)c2)c2[nH]ccc21
InChIInChI=1S/C12H10ClN3O/c13-10-5-7(1-3-14-10)9-6-16-12(17)8-2-4-15-11(8)9/h1-5,9,15H,6H2,(H,16,17)
InChIKeyKLZOVUDYDGSIQW-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.94
Rot. Bonds1

About 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 87958660) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID87958660
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCC(c2ccnc(Cl)c2)c2[nH]ccc21
InChIInChI=1S/C12H10ClN3O/c13-10-5-7(1-3-14-10)9-6-16-12(17)8-2-4-15-11(8)9/h1-5,9,15H,6H2,(H,16,17)
InChIKeyKLZOVUDYDGSIQW-UHFFFAOYSA-N
XLogP1.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 87958660) is 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCC(c2ccnc(Cl)c2)c2[nH]ccc21.
What is the InChIKey of 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KLZOVUDYDGSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-5-7(1-3-14-10)9-6-16-12(17)8-2-4-15-11(8)9/h1-5,9,15H,6H2,(H,16,17).
What are the key properties of 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 247.69 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 87958660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).