1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde

C14H10BrNOS — CID 102910068

IUPAC1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(Cc3sccc3Br)c12
InChIInChI=1S/C14H10BrNOS/c15-12-5-7-18-13(12)8-16-6-4-10-2-1-3-11(9-17)14(10)16/h1-7,9H,8H2
InChIKeyXETLZXGPMPQEKE-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.33
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde

1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde (PubChem CID 102910068) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
PubChem CID102910068
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(Cc3sccc3Br)c12
InChIInChI=1S/C14H10BrNOS/c15-12-5-7-18-13(12)8-16-6-4-10-2-1-3-11(9-17)14(10)16/h1-7,9H,8H2
InChIKeyXETLZXGPMPQEKE-UHFFFAOYSA-N
XLogP4.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
CID 102909905
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910123
1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
CID 102910173
1-(2-ethylbutyl)indole-7-carbaldehyde
CID 102910011
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127
1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-7-carbaldehyde
CID 102910161
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
1-[(3-bromothiophen-2-yl)methyl]-6-nitroindole
CID 116621070
1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
CID 102910182
1-[2-(azepan-1-yl)-2-oxoethyl]indole-7-carbaldehyde
CID 102910109

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde (CID 102910068) is 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde is O=Cc1cccc2ccn(Cc3sccc3Br)c12.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde?
The InChIKey is XETLZXGPMPQEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c15-12-5-7-18-13(12)8-16-6-4-10-2-1-3-11(9-17)14(10)16/h1-7,9H,8H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde?
1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde has a molecular weight of 320.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde is sourced from PubChem (CID 102910068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).