4-chloro-2H-pyrrole

C4H4ClN — CID 58542028

IUPAC4-chloro-2H-pyrrole
SMILESClC1=CCN=C1
InChIInChI=1S/C4H4ClN/c5-4-1-2-6-3-4/h1,3H,2H2
InChIKeyXDYPNONUKBMBKG-UHFFFAOYSA-N
MW101.54 g/mol
LogP1.19
Rot. Bonds

About 4-chloro-2H-pyrrole

4-chloro-2H-pyrrole (PubChem CID 58542028) has the molecular formula C4H4ClN and a molecular weight of 101.54 g/mol. Its IUPAC name is 4-chloro-2H-pyrrole.

Molecular Properties

Compound Name4-chloro-2H-pyrrole
PubChem CID58542028
Molecular FormulaC4H4ClN
Molecular Weight101.54 g/mol
Exact Mass101.00
IUPAC Name4-chloro-2H-pyrrole
SMILESClC1=CCN=C1
InChIInChI=1S/C4H4ClN/c5-4-1-2-6-3-4/h1,3H,2H2
InChIKeyXDYPNONUKBMBKG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-pyrrole?
The IUPAC name of 4-chloro-2H-pyrrole (CID 58542028) is 4-chloro-2H-pyrrole.
What is the SMILES notation for 4-chloro-2H-pyrrole?
The canonical SMILES for 4-chloro-2H-pyrrole is ClC1=CCN=C1.
What is the InChIKey of 4-chloro-2H-pyrrole?
The InChIKey is XDYPNONUKBMBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN/c5-4-1-2-6-3-4/h1,3H,2H2.
What are the key properties of 4-chloro-2H-pyrrole?
4-chloro-2H-pyrrole has a molecular weight of 101.54 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-pyrrole is sourced from PubChem (CID 58542028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).