N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine

C10H10ClIN2 — CID 107606320

IUPACN-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1cc(I)ccc1NC1=NCCC1
InChIInChI=1S/C10H10ClIN2/c11-8-6-7(12)3-4-9(8)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyKXPCIRUULIBUGB-UHFFFAOYSA-N
MW320.56 g/mol
LogP3.55
Rot. Bonds1

About N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 107606320) has the molecular formula C10H10ClIN2 and a molecular weight of 320.56 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID107606320
Molecular FormulaC10H10ClIN2
Molecular Weight320.56 g/mol
Exact Mass319.96
IUPAC NameN-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1cc(I)ccc1NC1=NCCC1
InChIInChI=1S/C10H10ClIN2/c11-8-6-7(12)3-4-9(8)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyKXPCIRUULIBUGB-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 107606320) is N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine is Clc1cc(I)ccc1NC1=NCCC1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is KXPCIRUULIBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2/c11-8-6-7(12)3-4-9(8)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 320.56 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 107606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).