1-chloro-2-iodopyrrole

C4H3ClIN — CID 174878984

IUPAC1-chloro-2-iodopyrrole
SMILESCln1cccc1I
InChIInChI=1S/C4H3ClIN/c5-7-3-1-2-4(7)6/h1-3H
InChIKeyIKVSHXJZCKPWCK-UHFFFAOYSA-N
MW227.43 g/mol
LogP2.09
Rot. Bonds

About 1-chloro-2-iodopyrrole

1-chloro-2-iodopyrrole (PubChem CID 174878984) has the molecular formula C4H3ClIN and a molecular weight of 227.43 g/mol. Its IUPAC name is 1-chloro-2-iodopyrrole.

Molecular Properties

Compound Name1-chloro-2-iodopyrrole
PubChem CID174878984
Molecular FormulaC4H3ClIN
Molecular Weight227.43 g/mol
Exact Mass226.90
IUPAC Name1-chloro-2-iodopyrrole
SMILESCln1cccc1I
InChIInChI=1S/C4H3ClIN/c5-7-3-1-2-4(7)6/h1-3H
InChIKeyIKVSHXJZCKPWCK-UHFFFAOYSA-N
XLogP2.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-iodopyrrole?
The IUPAC name of 1-chloro-2-iodopyrrole (CID 174878984) is 1-chloro-2-iodopyrrole.
What is the SMILES notation for 1-chloro-2-iodopyrrole?
The canonical SMILES for 1-chloro-2-iodopyrrole is Cln1cccc1I.
What is the InChIKey of 1-chloro-2-iodopyrrole?
The InChIKey is IKVSHXJZCKPWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClIN/c5-7-3-1-2-4(7)6/h1-3H.
What are the key properties of 1-chloro-2-iodopyrrole?
1-chloro-2-iodopyrrole has a molecular weight of 227.43 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-iodopyrrole is sourced from PubChem (CID 174878984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).