6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one

C19H14ClN3O — CID 90421841

IUPAC6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCn1c(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cccc1=O
InChIInChI=1S/C19H14ClN3O/c1-22-16(3-2-4-19(22)24)17-11-13-9-10-21-12-18(13)23(17)15-7-5-14(20)6-8-15/h2-12H,1H3
InChIKeyAPHLQKCYLOUZBV-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.04
Rot. Bonds2

About 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one

6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one (PubChem CID 90421841) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one
PubChem CID90421841
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCn1c(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cccc1=O
InChIInChI=1S/C19H14ClN3O/c1-22-16(3-2-4-19(22)24)17-11-13-9-10-21-12-18(13)23(17)15-7-5-14(20)6-8-15/h2-12H,1H3
InChIKeyAPHLQKCYLOUZBV-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 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one (CID 90421841) is 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one is Cn1c(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cccc1=O.
What is the InChIKey of 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
The InChIKey is APHLQKCYLOUZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-22-16(3-2-4-19(22)24)17-11-13-9-10-21-12-18(13)23(17)15-7-5-14(20)6-8-15/h2-12H,1H3.
What are the key properties of 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one?
6-[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 6-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 90421841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).