2-(10-bromoanthracen-9-yl)pyridine

C19H12BrN — CID 138593628

IUPAC2-(10-bromoanthracen-9-yl)pyridine
SMILESBrc1c2ccccc2c(-c2ccccn2)c2ccccc12
InChIInChI=1S/C19H12BrN/c20-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19/h1-12H
InChIKeySHULLMURMQNPKV-UHFFFAOYSA-N
MW334.22 g/mol
LogP5.82
Rot. Bonds1

About 2-(10-bromoanthracen-9-yl)pyridine

2-(10-bromoanthracen-9-yl)pyridine (PubChem CID 138593628) has the molecular formula C19H12BrN and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(10-bromoanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-(10-bromoanthracen-9-yl)pyridine
PubChem CID138593628
Molecular FormulaC19H12BrN
Molecular Weight334.22 g/mol
Exact Mass333.02
IUPAC Name2-(10-bromoanthracen-9-yl)pyridine
SMILESBrc1c2ccccc2c(-c2ccccn2)c2ccccc12
InChIInChI=1S/C19H12BrN/c20-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19/h1-12H
InChIKeySHULLMURMQNPKV-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10-bromoanthracen-9-yl)pyridine?
The IUPAC name of 2-(10-bromoanthracen-9-yl)pyridine (CID 138593628) is 2-(10-bromoanthracen-9-yl)pyridine.
What is the SMILES notation for 2-(10-bromoanthracen-9-yl)pyridine?
The canonical SMILES for 2-(10-bromoanthracen-9-yl)pyridine is Brc1c2ccccc2c(-c2ccccn2)c2ccccc12.
What is the InChIKey of 2-(10-bromoanthracen-9-yl)pyridine?
The InChIKey is SHULLMURMQNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN/c20-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19/h1-12H.
What are the key properties of 2-(10-bromoanthracen-9-yl)pyridine?
2-(10-bromoanthracen-9-yl)pyridine has a molecular weight of 334.22 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromoanthracen-9-yl)pyridine is sourced from PubChem (CID 138593628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).