2,5-dibromo-1-methylindole-3-carbaldehyde

C10H7Br2NO — CID 162661614

IUPAC2,5-dibromo-1-methylindole-3-carbaldehyde
SMILESCn1c(Br)c(C=O)c2cc(Br)ccc21
InChIInChI=1S/C10H7Br2NO/c1-13-9-3-2-6(11)4-7(9)8(5-14)10(13)12/h2-5H,1H3
InChIKeyNEEVHXRZJOZCGU-UHFFFAOYSA-N
MW316.98 g/mol
LogP3.52
Rot. Bonds1

About 2,5-dibromo-1-methylindole-3-carbaldehyde

2,5-dibromo-1-methylindole-3-carbaldehyde (PubChem CID 162661614) has the molecular formula C10H7Br2NO and a molecular weight of 316.98 g/mol. Its IUPAC name is 2,5-dibromo-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dibromo-1-methylindole-3-carbaldehyde
PubChem CID162661614
Molecular FormulaC10H7Br2NO
Molecular Weight316.98 g/mol
Exact Mass314.89
IUPAC Name2,5-dibromo-1-methylindole-3-carbaldehyde
SMILESCn1c(Br)c(C=O)c2cc(Br)ccc21
InChIInChI=1S/C10H7Br2NO/c1-13-9-3-2-6(11)4-7(9)8(5-14)10(13)12/h2-5H,1H3
InChIKeyNEEVHXRZJOZCGU-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.98
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-methylindole-3-carbaldehyde?
The IUPAC name of 2,5-dibromo-1-methylindole-3-carbaldehyde (CID 162661614) is 2,5-dibromo-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2,5-dibromo-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2,5-dibromo-1-methylindole-3-carbaldehyde is Cn1c(Br)c(C=O)c2cc(Br)ccc21.
What is the InChIKey of 2,5-dibromo-1-methylindole-3-carbaldehyde?
The InChIKey is NEEVHXRZJOZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO/c1-13-9-3-2-6(11)4-7(9)8(5-14)10(13)12/h2-5H,1H3.
What are the key properties of 2,5-dibromo-1-methylindole-3-carbaldehyde?
2,5-dibromo-1-methylindole-3-carbaldehyde has a molecular weight of 316.98 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 162661614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).