(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone

C13H9BrFNO2 — CID 59825042

IUPAC(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(Br)cnc1F
InChIInChI=1S/C13H9BrFNO2/c1-18-11-5-3-2-4-9(11)12(17)10-6-8(14)7-16-13(10)15/h2-7H,1H3
InChIKeyYXZVTIRICBECBL-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.22
Rot. Bonds3

About (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone

(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone (PubChem CID 59825042) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone
PubChem CID59825042
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(Br)cnc1F
InChIInChI=1S/C13H9BrFNO2/c1-18-11-5-3-2-4-9(11)12(17)10-6-8(14)7-16-13(10)15/h2-7H,1H3
InChIKeyYXZVTIRICBECBL-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone (CID 59825042) is (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cc(Br)cnc1F.
What is the InChIKey of (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone?
The InChIKey is YXZVTIRICBECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c1-18-11-5-3-2-4-9(11)12(17)10-6-8(14)7-16-13(10)15/h2-7H,1H3.
What are the key properties of (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone?
(5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone has a molecular weight of 310.12 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-3-pyridinyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 59825042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).