6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide

C14H12BrFN2O2 — CID 47246066

IUPAC6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C14H12BrFN2O2/c1-18(2)14(19)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,1-2H3
InChIKeyZFPLGXPHJSQRJZ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.48
Rot. Bonds3

About 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide

6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 47246066) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide
PubChem CID47246066
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C14H12BrFN2O2/c1-18(2)14(19)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,1-2H3
InChIKeyZFPLGXPHJSQRJZ-UHFFFAOYSA-N
XLogP3.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide (CID 47246066) is 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(Oc2ccc(F)cc2Br)nc1.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ZFPLGXPHJSQRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-18(2)14(19)9-3-6-13(17-8-9)20-12-5-4-10(16)7-11(12)15/h3-8H,1-2H3.
What are the key properties of 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide?
6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 339.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 47246066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).