2-(6-bromoquinolin-4-yl)benzaldehyde

C16H10BrNO — CID 89166960

IUPAC2-(6-bromoquinolin-4-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO/c17-12-5-6-16-15(9-12)14(7-8-18-16)13-4-2-1-3-11(13)10-19/h1-10H
InChIKeyMQIPAYIXMSFADY-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.48
Rot. Bonds2

About 2-(6-bromoquinolin-4-yl)benzaldehyde

2-(6-bromoquinolin-4-yl)benzaldehyde (PubChem CID 89166960) has the molecular formula C16H10BrNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(6-bromoquinolin-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-(6-bromoquinolin-4-yl)benzaldehyde
PubChem CID89166960
Molecular FormulaC16H10BrNO
Molecular Weight312.17 g/mol
Exact Mass310.99
IUPAC Name2-(6-bromoquinolin-4-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO/c17-12-5-6-16-15(9-12)14(7-8-18-16)13-4-2-1-3-11(13)10-19/h1-10H
InChIKeyMQIPAYIXMSFADY-UHFFFAOYSA-N
XLogP4.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.48
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-(6-bromoquinolin-4-yl)benzaldehyde?
The IUPAC name of 2-(6-bromoquinolin-4-yl)benzaldehyde (CID 89166960) is 2-(6-bromoquinolin-4-yl)benzaldehyde.
What is the SMILES notation for 2-(6-bromoquinolin-4-yl)benzaldehyde?
The canonical SMILES for 2-(6-bromoquinolin-4-yl)benzaldehyde is O=Cc1ccccc1-c1ccnc2ccc(Br)cc12.
What is the InChIKey of 2-(6-bromoquinolin-4-yl)benzaldehyde?
The InChIKey is MQIPAYIXMSFADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO/c17-12-5-6-16-15(9-12)14(7-8-18-16)13-4-2-1-3-11(13)10-19/h1-10H.
What are the key properties of 2-(6-bromoquinolin-4-yl)benzaldehyde?
2-(6-bromoquinolin-4-yl)benzaldehyde has a molecular weight of 312.17 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-4-yl)benzaldehyde is sourced from PubChem (CID 89166960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).