2,3-dichloro-5-methyl-1H-pyrrole

C5H5Cl2N — CID 18918860

IUPAC2,3-dichloro-5-methyl-1H-pyrrole
SMILESCc1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C5H5Cl2N/c1-3-2-4(6)5(7)8-3/h2,8H,1H3
InChIKeyGAEXBUFVNHZLOI-UHFFFAOYSA-N
MW150.01 g/mol
LogP2.63
Rot. Bonds

About 2,3-dichloro-5-methyl-1H-pyrrole

2,3-dichloro-5-methyl-1H-pyrrole (PubChem CID 18918860) has the molecular formula C5H5Cl2N and a molecular weight of 150.01 g/mol. Its IUPAC name is 2,3-dichloro-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name2,3-dichloro-5-methyl-1H-pyrrole
PubChem CID18918860
Molecular FormulaC5H5Cl2N
Molecular Weight150.01 g/mol
Exact Mass148.98
IUPAC Name2,3-dichloro-5-methyl-1H-pyrrole
SMILESCc1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C5H5Cl2N/c1-3-2-4(6)5(7)8-3/h2,8H,1H3
InChIKeyGAEXBUFVNHZLOI-UHFFFAOYSA-N
XLogP2.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.01
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dichloro-5-methyl-1H-pyrrole;ethane
CID 143404608
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
4,5-dichloro-1H-pyrrole-2-carbonitrile
CID 15171143
1,8-dichloro-3,6-dimethyl-9H-carbazole
CID 156769034
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130882908
8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
CID 107607566
5-tert-butyl-3-chloro-2-methylthiophene
CID 118581553
6-chloro-5-fluoro-2-methyl-1H-indole
CID 130063681
5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 123135474
9-chloro-7-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921471
2-(4,5-dichloro-1H-pyrrol-2-yl)-2-oxoacetic acid
CID 119098713

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-methyl-1H-pyrrole?
The IUPAC name of 2,3-dichloro-5-methyl-1H-pyrrole (CID 18918860) is 2,3-dichloro-5-methyl-1H-pyrrole.
What is the SMILES notation for 2,3-dichloro-5-methyl-1H-pyrrole?
The canonical SMILES for 2,3-dichloro-5-methyl-1H-pyrrole is Cc1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 2,3-dichloro-5-methyl-1H-pyrrole?
The InChIKey is GAEXBUFVNHZLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N/c1-3-2-4(6)5(7)8-3/h2,8H,1H3.
What are the key properties of 2,3-dichloro-5-methyl-1H-pyrrole?
2,3-dichloro-5-methyl-1H-pyrrole has a molecular weight of 150.01 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methyl-1H-pyrrole is sourced from PubChem (CID 18918860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).