2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one

C14H8Br2FNO2 — CID 114672108

IUPAC2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ncc(Br)cc2Br)Oc2ccc(F)cc21
InChIInChI=1S/C14H8Br2FNO2/c15-7-3-10(16)14(18-6-7)13-5-11(19)9-4-8(17)1-2-12(9)20-13/h1-4,6,13H,5H2
InChIKeyGWHGUNJFHLVSEG-UHFFFAOYSA-N
MW401.03 g/mol
LogP4.45
Rot. Bonds1

About 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one

2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114672108) has the molecular formula C14H8Br2FNO2 and a molecular weight of 401.03 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one
PubChem CID114672108
Molecular FormulaC14H8Br2FNO2
Molecular Weight401.03 g/mol
Exact Mass398.89
IUPAC Name2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ncc(Br)cc2Br)Oc2ccc(F)cc21
InChIInChI=1S/C14H8Br2FNO2/c15-7-3-10(16)14(18-6-7)13-5-11(19)9-4-8(17)1-2-12(9)20-13/h1-4,6,13H,5H2
InChIKeyGWHGUNJFHLVSEG-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.03
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one (CID 114672108) is 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one is O=C1CC(c2ncc(Br)cc2Br)Oc2ccc(F)cc21.
What is the InChIKey of 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is GWHGUNJFHLVSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2FNO2/c15-7-3-10(16)14(18-6-7)13-5-11(19)9-4-8(17)1-2-12(9)20-13/h1-4,6,13H,5H2.
What are the key properties of 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one?
2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 401.03 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).