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

C18H14F2N3OP — CID 142917082

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

2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142917082) has the molecular formula C18H14F2N3OP and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 142917082
• Molecular Formula: C18H14F2N3OP
• Molecular Weight: 357.30 g/mol
• Exact Mass: 357.08
• IUPAC Name: 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: O=C1NCCc2[nH]c(-c3ccnc(-c4cc(F)c(F)c(P)c4)c3)cc21
• InChI: InChI=1S/C18H14F2N3OP/c19-12-5-10(7-16(25)17(12)20)14-6-9(1-3-21-14)15-8-11-13(23-15)2-4-22-18(11)24/h1,3,5-8,23H,2,4,25H2,(H,22,24)
• InChIKey: NDZWXXGYNJBLHY-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.30
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142917082) is 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4cc(F)c(F)c(P)c4)c3)cc21.

What is the InChIKey of 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is NDZWXXGYNJBLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N3OP/c19-12-5-10(7-16(25)17(12)20)14-6-9(1-3-21-14)15-8-11-13(23-15)2-4-22-18(11)24/h1,3,5-8,23H,2,4,25H2,(H,22,24).

What are the key properties of 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 357.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142917082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).