2,5-diiodo-1-methylpyrrole

C5H5I2N — CID 14092853

IUPAC2,5-diiodo-1-methylpyrrole
SMILESCn1c(I)ccc1I
InChIInChI=1S/C5H5I2N/c1-8-4(6)2-3-5(8)7/h2-3H,1H3
InChIKeyGTNSEAMPILDOSA-UHFFFAOYSA-N
MW332.91 g/mol
LogP2.23
Rot. Bonds

About 2,5-diiodo-1-methylpyrrole

2,5-diiodo-1-methylpyrrole (PubChem CID 14092853) has the molecular formula C5H5I2N and a molecular weight of 332.91 g/mol. Its IUPAC name is 2,5-diiodo-1-methylpyrrole.

Molecular Properties

Compound Name2,5-diiodo-1-methylpyrrole
PubChem CID14092853
Molecular FormulaC5H5I2N
Molecular Weight332.91 g/mol
Exact Mass332.85
IUPAC Name2,5-diiodo-1-methylpyrrole
SMILESCn1c(I)ccc1I
InChIInChI=1S/C5H5I2N/c1-8-4(6)2-3-5(8)7/h2-3H,1H3
InChIKeyGTNSEAMPILDOSA-UHFFFAOYSA-N
XLogP2.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.91
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2-diiodo-5-methylpyrrole
CID 129082852
2-iodo-1-methylpyridin-4-one
CID 143107588
2,3-diiodo-1-methylindole
CID 10762499
3-iodo-1,2-dimethylindole
CID 19093282
trimethyl-(1-methyl-5-trimethylsilylpyrrol-2-yl)silane
CID 11790875
3-iodo-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 166486551
2-bromo-1-tert-butyl-5-iodopyrrole
CID 146377796
2-iodo-1-methyl-3-phenylindole
CID 76846489
3-iodo-1-methylquinolin-2-one
CID 15733001
1-chloro-2-iodopyrrole
CID 174878984
3-tert-butyl-2-iodo-1-methylpyrrole
CID 146377826
3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene
CID 177426544

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodo-1-methylpyrrole?
The IUPAC name of 2,5-diiodo-1-methylpyrrole (CID 14092853) is 2,5-diiodo-1-methylpyrrole.
What is the SMILES notation for 2,5-diiodo-1-methylpyrrole?
The canonical SMILES for 2,5-diiodo-1-methylpyrrole is Cn1c(I)ccc1I.
What is the InChIKey of 2,5-diiodo-1-methylpyrrole?
The InChIKey is GTNSEAMPILDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5I2N/c1-8-4(6)2-3-5(8)7/h2-3H,1H3.
What are the key properties of 2,5-diiodo-1-methylpyrrole?
2,5-diiodo-1-methylpyrrole has a molecular weight of 332.91 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodo-1-methylpyrrole is sourced from PubChem (CID 14092853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).