1-benzyl-3-iodoindole-6-carbaldehyde

C16H12INO — CID 124908072

IUPAC1-benzyl-3-iodoindole-6-carbaldehyde
SMILESO=Cc1ccc2c(I)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C16H12INO/c17-15-10-18(9-12-4-2-1-3-5-12)16-8-13(11-19)6-7-14(15)16/h1-8,10-11H,9H2
InChIKeyJLRVKEVWMLLXAH-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.11
Rot. Bonds3

About 1-benzyl-3-iodoindole-6-carbaldehyde

1-benzyl-3-iodoindole-6-carbaldehyde (PubChem CID 124908072) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is 1-benzyl-3-iodoindole-6-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-3-iodoindole-6-carbaldehyde
PubChem CID124908072
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name1-benzyl-3-iodoindole-6-carbaldehyde
SMILESO=Cc1ccc2c(I)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C16H12INO/c17-15-10-18(9-12-4-2-1-3-5-12)16-8-13(11-19)6-7-14(15)16/h1-8,10-11H,9H2
InChIKeyJLRVKEVWMLLXAH-UHFFFAOYSA-N
XLogP4.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
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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Related Compounds

3-benzylbenzimidazole-5-carbaldehyde
CID 143880191
1-[(4-methoxyphenyl)methyl]-3-methylindole-6-carbaldehyde
CID 91174729
1-benzyl-5-chloropyrrole-3-carbaldehyde
CID 11085314
1-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
3-iodo-1-methylindole-5-carbaldehyde
CID 124908219
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
9-methylcarbazole-2-carbaldehyde
CID 3152662
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
CID 17221168
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-iodoindole-6-carbaldehyde?
The IUPAC name of 1-benzyl-3-iodoindole-6-carbaldehyde (CID 124908072) is 1-benzyl-3-iodoindole-6-carbaldehyde.
What is the SMILES notation for 1-benzyl-3-iodoindole-6-carbaldehyde?
The canonical SMILES for 1-benzyl-3-iodoindole-6-carbaldehyde is O=Cc1ccc2c(I)cn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-3-iodoindole-6-carbaldehyde?
The InChIKey is JLRVKEVWMLLXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c17-15-10-18(9-12-4-2-1-3-5-12)16-8-13(11-19)6-7-14(15)16/h1-8,10-11H,9H2.
What are the key properties of 1-benzyl-3-iodoindole-6-carbaldehyde?
1-benzyl-3-iodoindole-6-carbaldehyde has a molecular weight of 361.18 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-iodoindole-6-carbaldehyde is sourced from PubChem (CID 124908072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).