4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride

C6H7ClIN3 — CID 136618798

IUPAC4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(I)c[nH]c1NC
InChIInChI=1S/C6H7ClIN3/c1-10-6-4(5(7)9)3(8)2-11-6/h2,9-11H,1H3/b9-5-
InChIKeyQKRYGQMWOAVFHW-UITAMQMPSA-N
MW283.50 g/mol
LogP2.23
Rot. Bonds2

About 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride

4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride (PubChem CID 136618798) has the molecular formula C6H7ClIN3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride.

Molecular Properties

Compound Name4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride
PubChem CID136618798
Molecular FormulaC6H7ClIN3
Molecular Weight283.50 g/mol
Exact Mass282.94
IUPAC Name4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1c(I)c[nH]c1NC
InChIInChI=1S/C6H7ClIN3/c1-10-6-4(5(7)9)3(8)2-11-6/h2,9-11H,1H3/b9-5-
InChIKeyQKRYGQMWOAVFHW-UITAMQMPSA-N
XLogP2.23
TPSA51.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride?
The IUPAC name of 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride (CID 136618798) is 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride.
What is the SMILES notation for 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride?
The canonical SMILES for 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride is [H]/N=C(\Cl)c1c(I)c[nH]c1NC.
What is the InChIKey of 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride?
The InChIKey is QKRYGQMWOAVFHW-UITAMQMPSA-N. The full InChI is InChI=1S/C6H7ClIN3/c1-10-6-4(5(7)9)3(8)2-11-6/h2,9-11H,1H3/b9-5-.
What are the key properties of 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride?
4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride has a molecular weight of 283.50 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride is sourced from PubChem (CID 136618798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).