6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde

C12H9BrN2O — CID 115007753

IUPAC6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde
SMILESCn1c2cc(Br)ccc2c2cc(C=O)[nH]c21
InChIInChI=1S/C12H9BrN2O/c1-15-11-4-7(13)2-3-9(11)10-5-8(6-16)14-12(10)15/h2-6,14H,1H3
InChIKeyBAJBFCCMIOJMOX-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.23
Rot. Bonds1

About 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde

6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde (PubChem CID 115007753) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde
PubChem CID115007753
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde
SMILESCn1c2cc(Br)ccc2c2cc(C=O)[nH]c21
InChIInChI=1S/C12H9BrN2O/c1-15-11-4-7(13)2-3-9(11)10-5-8(6-16)14-12(10)15/h2-6,14H,1H3
InChIKeyBAJBFCCMIOJMOX-UHFFFAOYSA-N
XLogP3.23
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-methylcarbazole
CID 11851387
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
7-bromo-9-ethylcarbazole-2-carbaldehyde
CID 20504294
7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170588235
6-bromo-3-ethyl-1-methylindole
CID 115042453
1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
2,7-dibromo-9-propylcarbazole;propane
CID 144652939
2-(6-bromo-3-ethylindol-1-yl)ethanol
CID 83946660
methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 59340050
8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one
CID 176916107
4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
CID 144652940
6-bromo-2-methyl-1-oxoisoquinoline-4-carbaldehyde
CID 178046629

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde?
The IUPAC name of 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde (CID 115007753) is 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde.
What is the SMILES notation for 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde?
The canonical SMILES for 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde is Cn1c2cc(Br)ccc2c2cc(C=O)[nH]c21.
What is the InChIKey of 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde?
The InChIKey is BAJBFCCMIOJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c1-15-11-4-7(13)2-3-9(11)10-5-8(6-16)14-12(10)15/h2-6,14H,1H3.
What are the key properties of 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde?
6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde has a molecular weight of 277.12 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-3H-pyrrolo[2,3-b]indole-2-carbaldehyde is sourced from PubChem (CID 115007753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).