5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole

C11H8ClN3 — CID 175852017

IUPAC5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole
SMILESClc1cc2ccn(-c3cccnc3)c2[nH]1
InChIInChI=1S/C11H8ClN3/c12-10-6-8-3-5-15(11(8)14-10)9-2-1-4-13-7-9/h1-7,14H
InChIKeyNEVGROGBDXMKFG-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.01
Rot. Bonds1

About 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole

5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole (PubChem CID 175852017) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole
PubChem CID175852017
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole
SMILESClc1cc2ccn(-c3cccnc3)c2[nH]1
InChIInChI=1S/C11H8ClN3/c12-10-6-8-3-5-15(11(8)14-10)9-2-1-4-13-7-9/h1-7,14H
InChIKeyNEVGROGBDXMKFG-UHFFFAOYSA-N
XLogP3.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole?
The IUPAC name of 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole (CID 175852017) is 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole?
The canonical SMILES for 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole is Clc1cc2ccn(-c3cccnc3)c2[nH]1.
What is the InChIKey of 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole?
The InChIKey is NEVGROGBDXMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-10-6-8-3-5-15(11(8)14-10)9-2-1-4-13-7-9/h1-7,14H.
What are the key properties of 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole?
5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole has a molecular weight of 217.66 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pyridin-3-yl-6H-pyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 175852017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).