2-iodo-4-(methylamino)benzaldehyde

C8H8INO — CID 90365736

IUPAC2-iodo-4-(methylamino)benzaldehyde
SMILESCNc1ccc(C=O)c(I)c1
InChIInChI=1S/C8H8INO/c1-10-7-3-2-6(5-11)8(9)4-7/h2-5,10H,1H3
InChIKeyJUBGIGFXVLQSAR-UHFFFAOYSA-N
MW261.06 g/mol
LogP2.15
Rot. Bonds2

About 2-iodo-4-(methylamino)benzaldehyde

2-iodo-4-(methylamino)benzaldehyde (PubChem CID 90365736) has the molecular formula C8H8INO and a molecular weight of 261.06 g/mol. Its IUPAC name is 2-iodo-4-(methylamino)benzaldehyde.

Molecular Properties

Compound Name2-iodo-4-(methylamino)benzaldehyde
PubChem CID90365736
Molecular FormulaC8H8INO
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Name2-iodo-4-(methylamino)benzaldehyde
SMILESCNc1ccc(C=O)c(I)c1
InChIInChI=1S/C8H8INO/c1-10-7-3-2-6(5-11)8(9)4-7/h2-5,10H,1H3
InChIKeyJUBGIGFXVLQSAR-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(methylamino)benzaldehyde?
The IUPAC name of 2-iodo-4-(methylamino)benzaldehyde (CID 90365736) is 2-iodo-4-(methylamino)benzaldehyde.
What is the SMILES notation for 2-iodo-4-(methylamino)benzaldehyde?
The canonical SMILES for 2-iodo-4-(methylamino)benzaldehyde is CNc1ccc(C=O)c(I)c1.
What is the InChIKey of 2-iodo-4-(methylamino)benzaldehyde?
The InChIKey is JUBGIGFXVLQSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO/c1-10-7-3-2-6(5-11)8(9)4-7/h2-5,10H,1H3.
What are the key properties of 2-iodo-4-(methylamino)benzaldehyde?
2-iodo-4-(methylamino)benzaldehyde has a molecular weight of 261.06 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(methylamino)benzaldehyde is sourced from PubChem (CID 90365736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).