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

C12H9ClFN3O — CID 86594719

IUPAC2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(Cl)c3F)cc21
InChIInChI=1S/C12H9ClFN3O/c13-11-10(14)6(1-3-15-11)9-5-7-8(17-9)2-4-16-12(7)18/h1,3,5,17H,2,4H2,(H,16,18)
InChIKeySGVBMVRBGBLQTC-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.16
Rot. Bonds1

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

2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 86594719) has the molecular formula C12H9ClFN3O and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID86594719
Molecular FormulaC12H9ClFN3O
Molecular Weight265.67 g/mol
Exact Mass265.04
IUPAC Name2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(Cl)c3F)cc21
InChIInChI=1S/C12H9ClFN3O/c13-11-10(14)6(1-3-15-11)9-5-7-8(17-9)2-4-16-12(7)18/h1,3,5,17H,2,4H2,(H,16,18)
InChIKeySGVBMVRBGBLQTC-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.16
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 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 86594719) is 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(Cl)c3F)cc21.
What is the InChIKey of 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SGVBMVRBGBLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-11-10(14)6(1-3-15-11)9-5-7-8(17-9)2-4-16-12(7)18/h1,3,5,17H,2,4H2,(H,16,18).
What are the key properties of 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 265.67 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 86594719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).