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

C18H14ClN3O — CID 16720091

IUPAC2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4cccc(Cl)c4)c3)cc21
InChIInChI=1S/C18H14ClN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
InChIKeyPHQASTFACIPPJB-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.68
Rot. Bonds2

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

2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 16720091) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID16720091
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4cccc(Cl)c4)c3)cc21
InChIInChI=1S/C18H14ClN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
InChIKeyPHQASTFACIPPJB-UHFFFAOYSA-N
XLogP3.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 16720091) is 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4cccc(Cl)c4)c3)cc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PHQASTFACIPPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23).
What are the key properties of 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 323.78 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 16720091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).