2-(6-bromo-2-pyridinyl)-7-methoxyquinoline

C15H11BrN2O — CID 164678928

IUPAC2-(6-bromo-2-pyridinyl)-7-methoxyquinoline
SMILESCOc1ccc2ccc(-c3cccc(Br)n3)nc2c1
InChIInChI=1S/C15H11BrN2O/c1-19-11-7-5-10-6-8-13(17-14(10)9-11)12-3-2-4-15(16)18-12/h2-9H,1H3
InChIKeyHMTVUUPHGOBOIC-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.07
Rot. Bonds2

About 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline

2-(6-bromo-2-pyridinyl)-7-methoxyquinoline (PubChem CID 164678928) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-7-methoxyquinoline
PubChem CID164678928
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(6-bromo-2-pyridinyl)-7-methoxyquinoline
SMILESCOc1ccc2ccc(-c3cccc(Br)n3)nc2c1
InChIInChI=1S/C15H11BrN2O/c1-19-11-7-5-10-6-8-13(17-14(10)9-11)12-3-2-4-15(16)18-12/h2-9H,1H3
InChIKeyHMTVUUPHGOBOIC-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine
CID 15326156
ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
CID 143363287
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
2-(cyclohexen-1-yl)-7-methoxyquinoline
CID 140669537
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-bromo-7-methoxyquinoline
CID 18788548
2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine
CID 158429646
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
7-methoxy-2,3-dimethylquinoline
CID 58717059

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline (CID 164678928) is 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline is COc1ccc2ccc(-c3cccc(Br)n3)nc2c1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline?
The InChIKey is HMTVUUPHGOBOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-19-11-7-5-10-6-8-13(17-14(10)9-11)12-3-2-4-15(16)18-12/h2-9H,1H3.
What are the key properties of 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline?
2-(6-bromo-2-pyridinyl)-7-methoxyquinoline has a molecular weight of 315.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-7-methoxyquinoline is sourced from PubChem (CID 164678928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).