3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one

C13H16ClN3O — CID 69179817

IUPAC3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1[nH]c2c(=O)n(C3CCNCC3)ccc2c1Cl
InChIInChI=1S/C13H16ClN3O/c1-8-11(14)10-4-7-17(13(18)12(10)16-8)9-2-5-15-6-3-9/h4,7,9,15-16H,2-3,5-6H2,1H3
InChIKeyJIMNVRSFGPZTTQ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.22
Rot. Bonds1

About 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one

3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 69179817) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID69179817
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1[nH]c2c(=O)n(C3CCNCC3)ccc2c1Cl
InChIInChI=1S/C13H16ClN3O/c1-8-11(14)10-4-7-17(13(18)12(10)16-8)9-2-5-15-6-3-9/h4,7,9,15-16H,2-3,5-6H2,1H3
InChIKeyJIMNVRSFGPZTTQ-UHFFFAOYSA-N
XLogP2.22
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 69179817) is 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1[nH]c2c(=O)n(C3CCNCC3)ccc2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is JIMNVRSFGPZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-11(14)10-4-7-17(13(18)12(10)16-8)9-2-5-15-6-3-9/h4,7,9,15-16H,2-3,5-6H2,1H3.
What are the key properties of 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 265.74 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6-piperidin-4-yl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 69179817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).