(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone

C15H9BrN2O — CID 44606028

IUPAC(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone
SMILESO=C(c1cccc(Br)n1)c1ccc2ccccc2n1
InChIInChI=1S/C15H9BrN2O/c16-14-7-3-6-12(18-14)15(19)13-9-8-10-4-1-2-5-11(10)17-13/h1-9H
InChIKeyXISHYAAPQGAEEM-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.62
Rot. Bonds2

About (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone

(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone (PubChem CID 44606028) has the molecular formula C15H9BrN2O and a molecular weight of 313.15 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone
PubChem CID44606028
Molecular FormulaC15H9BrN2O
Molecular Weight313.15 g/mol
Exact Mass311.99
IUPAC Name(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone
SMILESO=C(c1cccc(Br)n1)c1ccc2ccccc2n1
InChIInChI=1S/C15H9BrN2O/c16-14-7-3-6-12(18-14)15(19)13-9-8-10-4-1-2-5-11(10)17-13/h1-9H
InChIKeyXISHYAAPQGAEEM-UHFFFAOYSA-N
XLogP3.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.62
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

copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
copper(1+);quinoline-2-carboxylate
CID 159046158
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
quinoline-2-carboxamide;hydrobromide
CID 141009871
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
2-amino-1-quinolin-2-ylethanone
CID 23532024
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone?
The IUPAC name of (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone (CID 44606028) is (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone is O=C(c1cccc(Br)n1)c1ccc2ccccc2n1.
What is the InChIKey of (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone?
The InChIKey is XISHYAAPQGAEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O/c16-14-7-3-6-12(18-14)15(19)13-9-8-10-4-1-2-5-11(10)17-13/h1-9H.
What are the key properties of (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone?
(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone has a molecular weight of 313.15 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-quinolin-2-ylmethanone is sourced from PubChem (CID 44606028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).