2-(4-amino-3-iodophenyl)propanal

C9H10INO — CID 134639971

IUPAC2-(4-amino-3-iodophenyl)propanal
SMILESCC(C=O)c1ccc(N)c(I)c1
InChIInChI=1S/C9H10INO/c1-6(5-12)7-2-3-9(11)8(10)4-7/h2-6H,11H2,1H3
InChIKeyAWMOOZFOGKJGFR-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.18
Rot. Bonds2

About 2-(4-amino-3-iodophenyl)propanal

2-(4-amino-3-iodophenyl)propanal (PubChem CID 134639971) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-(4-amino-3-iodophenyl)propanal.

Molecular Properties

Compound Name2-(4-amino-3-iodophenyl)propanal
PubChem CID134639971
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name2-(4-amino-3-iodophenyl)propanal
SMILESCC(C=O)c1ccc(N)c(I)c1
InChIInChI=1S/C9H10INO/c1-6(5-12)7-2-3-9(11)8(10)4-7/h2-6H,11H2,1H3
InChIKeyAWMOOZFOGKJGFR-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-methylphenyl)propanal
CID 88582796
2-[4-amino-3-(ethylamino)phenyl]propanal
CID 174473026
2-(3-amino-4-ethylphenyl)propanal
CID 134639349
2-(4-amino-2-iodophenyl)propanal
CID 134639886
2-(4-chloro-3-methylphenyl)propanal
CID 57241327
2-(4-methyl-3-sulfanylphenyl)propanal
CID 134639544
2-(4-sulfanylphenyl)propanal
CID 134639265
(2R)-2-(4-bromophenyl)propanal
CID 39243198
2-(3-fluoro-4-sulfanylphenyl)propanal
CID 134639403
2-(7-methylnaphthalen-2-yl)propanal
CID 21414815
4-(2-amino-1-phenylethyl)-2-iodoaniline
CID 21125810
(2R)-2-(3-methylphenyl)propanal
CID 15372593

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-iodophenyl)propanal?
The IUPAC name of 2-(4-amino-3-iodophenyl)propanal (CID 134639971) is 2-(4-amino-3-iodophenyl)propanal.
What is the SMILES notation for 2-(4-amino-3-iodophenyl)propanal?
The canonical SMILES for 2-(4-amino-3-iodophenyl)propanal is CC(C=O)c1ccc(N)c(I)c1.
What is the InChIKey of 2-(4-amino-3-iodophenyl)propanal?
The InChIKey is AWMOOZFOGKJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-6(5-12)7-2-3-9(11)8(10)4-7/h2-6H,11H2,1H3.
What are the key properties of 2-(4-amino-3-iodophenyl)propanal?
2-(4-amino-3-iodophenyl)propanal has a molecular weight of 275.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-iodophenyl)propanal is sourced from PubChem (CID 134639971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).