2,3-dichloro-1-methylpyrrole

C5H5Cl2N — CID 56999019

IUPAC2,3-dichloro-1-methylpyrrole
SMILESCn1ccc(Cl)c1Cl
InChIInChI=1S/C5H5Cl2N/c1-8-3-2-4(6)5(8)7/h2-3H,1H3
InChIKeyBRFBSZZVOLZKBG-UHFFFAOYSA-N
MW150.01 g/mol
LogP2.33
Rot. Bonds

About 2,3-dichloro-1-methylpyrrole

2,3-dichloro-1-methylpyrrole (PubChem CID 56999019) has the molecular formula C5H5Cl2N and a molecular weight of 150.01 g/mol. Its IUPAC name is 2,3-dichloro-1-methylpyrrole.

Molecular Properties

Compound Name2,3-dichloro-1-methylpyrrole
PubChem CID56999019
Molecular FormulaC5H5Cl2N
Molecular Weight150.01 g/mol
Exact Mass148.98
IUPAC Name2,3-dichloro-1-methylpyrrole
SMILESCn1ccc(Cl)c1Cl
InChIInChI=1S/C5H5Cl2N/c1-8-3-2-4(6)5(8)7/h2-3H,1H3
InChIKeyBRFBSZZVOLZKBG-UHFFFAOYSA-N
XLogP2.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.01
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-methylpyrrole?
The IUPAC name of 2,3-dichloro-1-methylpyrrole (CID 56999019) is 2,3-dichloro-1-methylpyrrole.
What is the SMILES notation for 2,3-dichloro-1-methylpyrrole?
The canonical SMILES for 2,3-dichloro-1-methylpyrrole is Cn1ccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-methylpyrrole?
The InChIKey is BRFBSZZVOLZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N/c1-8-3-2-4(6)5(8)7/h2-3H,1H3.
What are the key properties of 2,3-dichloro-1-methylpyrrole?
2,3-dichloro-1-methylpyrrole has a molecular weight of 150.01 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-methylpyrrole is sourced from PubChem (CID 56999019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).