3-(4-bromophenyl)-1H-indole-2-carbaldehyde

C15H10BrNO — CID 139991030

IUPAC3-(4-bromophenyl)-1H-indole-2-carbaldehyde
SMILESO=Cc1[nH]c2ccccc2c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)17-14(15)9-18/h1-9,17H
InChIKeyJCXALGPVRADVPC-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.41
Rot. Bonds2

About 3-(4-bromophenyl)-1H-indole-2-carbaldehyde

3-(4-bromophenyl)-1H-indole-2-carbaldehyde (PubChem CID 139991030) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromophenyl)-1H-indole-2-carbaldehyde
PubChem CID139991030
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name3-(4-bromophenyl)-1H-indole-2-carbaldehyde
SMILESO=Cc1[nH]c2ccccc2c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)17-14(15)9-18/h1-9,17H
InChIKeyJCXALGPVRADVPC-UHFFFAOYSA-N
XLogP4.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanol;3-phenyl-1H-indole-2-carbaldehyde
CID 143036487
4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
CID 142438214
4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide
CID 10365186
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
CID 171477204
2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
3-aminosulfanyl-1H-indole-2-carbaldehyde
CID 10465176
2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole
CID 102230394
2-(4-bromophenyl)-6H-imidazo[1,2-c]quinazolin-5-one
CID 135496175
3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde
CID 102572070

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1H-indole-2-carbaldehyde?
The IUPAC name of 3-(4-bromophenyl)-1H-indole-2-carbaldehyde (CID 139991030) is 3-(4-bromophenyl)-1H-indole-2-carbaldehyde.
What is the SMILES notation for 3-(4-bromophenyl)-1H-indole-2-carbaldehyde?
The canonical SMILES for 3-(4-bromophenyl)-1H-indole-2-carbaldehyde is O=Cc1[nH]c2ccccc2c1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1H-indole-2-carbaldehyde?
The InChIKey is JCXALGPVRADVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)17-14(15)9-18/h1-9,17H.
What are the key properties of 3-(4-bromophenyl)-1H-indole-2-carbaldehyde?
3-(4-bromophenyl)-1H-indole-2-carbaldehyde has a molecular weight of 300.16 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1H-indole-2-carbaldehyde is sourced from PubChem (CID 139991030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).