4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one

C19H14ClN3O — CID 90421771

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C19H14ClN3O/c1-22-9-7-14(11-19(22)24)17-10-13-6-8-21-12-18(13)23(17)16-4-2-15(20)3-5-16/h2-12H,1H3
InChIKeyHZHLFUWLYIBWRF-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.04
Rot. Bonds2

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one (PubChem CID 90421771) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one
PubChem CID90421771
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C19H14ClN3O/c1-22-9-7-14(11-19(22)24)17-10-13-6-8-21-12-18(13)23(17)16-4-2-15(20)3-5-16/h2-12H,1H3
InChIKeyHZHLFUWLYIBWRF-UHFFFAOYSA-N
XLogP4.04
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one (CID 90421771) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one is Cn1ccc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
The InChIKey is HZHLFUWLYIBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-22-9-7-14(11-19(22)24)17-10-13-6-8-21-12-18(13)23(17)16-4-2-15(20)3-5-16/h2-12H,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one has a molecular weight of 335.79 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 90421771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).