2-chloro-3H-pyrrole

C4H4ClN — CID 58270611

IUPAC2-chloro-3H-pyrrole
SMILESClC1=NC=CC1
InChIInChI=1S/C4H4ClN/c5-4-2-1-3-6-4/h1,3H,2H2
InChIKeyJIZVDMQXGTVYEH-UHFFFAOYSA-N
MW101.54 g/mol
LogP1.54
Rot. Bonds

About 2-chloro-3H-pyrrole

2-chloro-3H-pyrrole (PubChem CID 58270611) has the molecular formula C4H4ClN and a molecular weight of 101.54 g/mol. Its IUPAC name is 2-chloro-3H-pyrrole.

Molecular Properties

Compound Name2-chloro-3H-pyrrole
PubChem CID58270611
Molecular FormulaC4H4ClN
Molecular Weight101.54 g/mol
Exact Mass101.00
IUPAC Name2-chloro-3H-pyrrole
SMILESClC1=NC=CC1
InChIInChI=1S/C4H4ClN/c5-4-2-1-3-6-4/h1,3H,2H2
InChIKeyJIZVDMQXGTVYEH-UHFFFAOYSA-N
XLogP1.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.54
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydropyrrol-2-ide
CID 58066797
2,3-Dihydropyrrol-2-ylium
CID 58373898
2,3-Dihydropyrrol-2-ide;rubidium(1+)
CID 59485005
2-Chloro-3,4-dihydropyrrol-4-ide;yttrium
CID 60040544
2,3-Dihydropyrrol-2-ide;yttrium
CID 60045630
4-chloro-3H-pyrrole
CID 90048493
2-(chloromethyl)-3H-pyrrole
CID 124707025
2-Chloro-3,4-dihydropyridine
CID 145025425
5-chloro-4H-pyridine
CID 152753444
2,3-Dihydropyrrol-2-ide;yttrium(3+)
CID 23403395
3H-pyrrol-2-ylstannanide
CID 124225653
CID 124225654
CID 124225654

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3H-pyrrole?
The IUPAC name of 2-chloro-3H-pyrrole (CID 58270611) is 2-chloro-3H-pyrrole.
What is the SMILES notation for 2-chloro-3H-pyrrole?
The canonical SMILES for 2-chloro-3H-pyrrole is ClC1=NC=CC1.
What is the InChIKey of 2-chloro-3H-pyrrole?
The InChIKey is JIZVDMQXGTVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN/c5-4-2-1-3-6-4/h1,3H,2H2.
What are the key properties of 2-chloro-3H-pyrrole?
2-chloro-3H-pyrrole has a molecular weight of 101.54 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3H-pyrrole is sourced from PubChem (CID 58270611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).