8-bromo-6-fluoroquinoline-5-carboxamide

C10H6BrFN2O — CID 177323704

IUPAC8-bromo-6-fluoroquinoline-5-carboxamide
SMILESNC(=O)c1c(F)cc(Br)c2ncccc12
InChIInChI=1S/C10H6BrFN2O/c11-6-4-7(12)8(10(13)15)5-2-1-3-14-9(5)6/h1-4H,(H2,13,15)
InChIKeyZQYHKTGAVGPATR-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.24
Rot. Bonds1

About 8-bromo-6-fluoroquinoline-5-carboxamide

8-bromo-6-fluoroquinoline-5-carboxamide (PubChem CID 177323704) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 8-bromo-6-fluoroquinoline-5-carboxamide.

Molecular Properties

Compound Name8-bromo-6-fluoroquinoline-5-carboxamide
PubChem CID177323704
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name8-bromo-6-fluoroquinoline-5-carboxamide
SMILESNC(=O)c1c(F)cc(Br)c2ncccc12
InChIInChI=1S/C10H6BrFN2O/c11-6-4-7(12)8(10(13)15)5-2-1-3-14-9(5)6/h1-4H,(H2,13,15)
InChIKeyZQYHKTGAVGPATR-UHFFFAOYSA-N
XLogP2.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoroquinoline-5-carboxamide?
The IUPAC name of 8-bromo-6-fluoroquinoline-5-carboxamide (CID 177323704) is 8-bromo-6-fluoroquinoline-5-carboxamide.
What is the SMILES notation for 8-bromo-6-fluoroquinoline-5-carboxamide?
The canonical SMILES for 8-bromo-6-fluoroquinoline-5-carboxamide is NC(=O)c1c(F)cc(Br)c2ncccc12.
What is the InChIKey of 8-bromo-6-fluoroquinoline-5-carboxamide?
The InChIKey is ZQYHKTGAVGPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-6-4-7(12)8(10(13)15)5-2-1-3-14-9(5)6/h1-4H,(H2,13,15).
What are the key properties of 8-bromo-6-fluoroquinoline-5-carboxamide?
8-bromo-6-fluoroquinoline-5-carboxamide has a molecular weight of 269.07 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoroquinoline-5-carboxamide is sourced from PubChem (CID 177323704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).