(5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone

C17H11BrFN3O — CID 170546173

IUPAC(5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
SMILESCc1cccnc1-c1ccc(C(=O)c2cc(Br)cnc2F)nc1
InChIInChI=1S/C17H11BrFN3O/c1-10-3-2-6-20-15(10)11-4-5-14(21-8-11)16(23)13-7-12(18)9-22-17(13)19/h2-9H,1H3
InChIKeyGXFAHVGZJVDOQW-UHFFFAOYSA-N
MW372.20 g/mol
LogP3.98
Rot. Bonds3

About (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone

(5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone (PubChem CID 170546173) has the molecular formula C17H11BrFN3O and a molecular weight of 372.20 g/mol. Its IUPAC name is (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
PubChem CID170546173
Molecular FormulaC17H11BrFN3O
Molecular Weight372.20 g/mol
Exact Mass371.01
IUPAC Name(5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
SMILESCc1cccnc1-c1ccc(C(=O)c2cc(Br)cnc2F)nc1
InChIInChI=1S/C17H11BrFN3O/c1-10-3-2-6-20-15(10)11-4-5-14(21-8-11)16(23)13-7-12(18)9-22-17(13)19/h2-9H,1H3
InChIKeyGXFAHVGZJVDOQW-UHFFFAOYSA-N
XLogP3.98
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone with MolForge

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Related Compounds

3-(Pyridine-2-carbonyl)pyridine
CID 318610
2-(Pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-one
CID 322129
1-(4-Bromophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 22719885
1,2-Bis(5-methyl-2-pyridinyl)ethane-1,2-dione
CID 44579452
7-[2-(3-Bromophenyl)ethylamino]quinoline-5,8-dione
CID 57329372
7-Amino-2-(3-pyridinyl)-5,8-quinolinedione
CID 71661704
2-(3-Bromobenzoyl)pyridine
CID 12981436
2-(2-Bromobenzoyl)pyridine
CID 144752
2-(5-Bromopyridin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone
CID 10545637
1-(2-Bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680419
1-(3-Bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680420
1-(4-Bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680421

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
The IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone (CID 170546173) is (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone.
What is the SMILES notation for (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
The canonical SMILES for (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone is Cc1cccnc1-c1ccc(C(=O)c2cc(Br)cnc2F)nc1.
What is the InChIKey of (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
The InChIKey is GXFAHVGZJVDOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O/c1-10-3-2-6-20-15(10)11-4-5-14(21-8-11)16(23)13-7-12(18)9-22-17(13)19/h2-9H,1H3.
What are the key properties of (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
(5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone has a molecular weight of 372.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone is sourced from PubChem (CID 170546173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).