2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone

C14H16ClN3O — CID 141178949

IUPAC2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1ccc2cc(Cl)cnc21)N1CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-12-8-11-4-7-18(14(11)16-9-12)10-13(19)17-5-2-1-3-6-17/h4,7-9H,1-3,5-6,10H2
InChIKeyUNXYCUQSMJFCNG-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.70
Rot. Bonds2

About 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone

2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 141178949) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone
PubChem CID141178949
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cn1ccc2cc(Cl)cnc21)N1CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-12-8-11-4-7-18(14(11)16-9-12)10-13(19)17-5-2-1-3-6-17/h4,7-9H,1-3,5-6,10H2
InChIKeyUNXYCUQSMJFCNG-UHFFFAOYSA-N
XLogP2.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone (CID 141178949) is 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone is O=C(Cn1ccc2cc(Cl)cnc21)N1CCCCC1.
What is the InChIKey of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is UNXYCUQSMJFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-8-11-4-7-18(14(11)16-9-12)10-13(19)17-5-2-1-3-6-17/h4,7-9H,1-3,5-6,10H2.
What are the key properties of 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone?
2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 277.75 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 141178949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).