(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone

C12H7BrFNO — CID 79018099

IUPAC(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Br)ccc1F
InChIInChI=1S/C12H7BrFNO/c13-9-3-4-11(14)10(6-9)12(16)8-2-1-5-15-7-8/h1-7H
InChIKeyKOFNQHYBIIKUAR-UHFFFAOYSA-N
MW280.10 g/mol
LogP3.21
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone

(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone (PubChem CID 79018099) has the molecular formula C12H7BrFNO and a molecular weight of 280.10 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone
PubChem CID79018099
Molecular FormulaC12H7BrFNO
Molecular Weight280.10 g/mol
Exact Mass278.97
IUPAC Name(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Br)ccc1F
InChIInChI=1S/C12H7BrFNO/c13-9-3-4-11(14)10(6-9)12(16)8-2-1-5-15-7-8/h1-7H
InChIKeyKOFNQHYBIIKUAR-UHFFFAOYSA-N
XLogP3.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone (CID 79018099) is (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone?
The InChIKey is KOFNQHYBIIKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO/c13-9-3-4-11(14)10(6-9)12(16)8-2-1-5-15-7-8/h1-7H.
What are the key properties of (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone?
(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone has a molecular weight of 280.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 79018099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).