4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine

C12H11ClN2 — CID 67135612

IUPAC4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClC1=CCCC1c1ccnc2[nH]ccc12
InChIInChI=1S/C12H11ClN2/c13-11-3-1-2-9(11)8-4-6-14-12-10(8)5-7-15-12/h3-7,9H,1-2H2,(H,14,15)
InChIKeySZACHRMQEYYYHR-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.56
Rot. Bonds1

About 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine

4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67135612) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID67135612
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClC1=CCCC1c1ccnc2[nH]ccc12
InChIInChI=1S/C12H11ClN2/c13-11-3-1-2-9(11)8-4-6-14-12-10(8)5-7-15-12/h3-7,9H,1-2H2,(H,14,15)
InChIKeySZACHRMQEYYYHR-UHFFFAOYSA-N
XLogP3.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 67135612) is 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine is ClC1=CCCC1c1ccnc2[nH]ccc12.
What is the InChIKey of 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SZACHRMQEYYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-3-1-2-9(11)8-4-6-14-12-10(8)5-7-15-12/h3-7,9H,1-2H2,(H,14,15).
What are the key properties of 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 218.69 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67135612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).