1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde

C15H10BrNO — CID 81259601

IUPAC1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H10BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-7-1-2-15(17)10-18/h1-10H
InChIKeyRSRXMYJEFUCTDJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.21
Rot. Bonds2

About 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde

1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde (PubChem CID 81259601) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde
PubChem CID81259601
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H10BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-7-1-2-15(17)10-18/h1-10H
InChIKeyRSRXMYJEFUCTDJ-UHFFFAOYSA-N
XLogP4.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.21
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 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde (CID 81259601) is 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde?
The InChIKey is RSRXMYJEFUCTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-13-5-3-12-9-14(6-4-11(12)8-13)17-7-1-2-15(17)10-18/h1-10H.
What are the key properties of 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde?
1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde has a molecular weight of 300.16 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 81259601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).