6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide

C12H8BrFN2O2 — CID 24708456

IUPAC6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C12H8BrFN2O2/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-16-11)12(15)17/h1-6H,(H2,15,17)
InChIKeyRVPFYHPTCBGHHI-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.87
Rot. Bonds3

About 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide

6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide (PubChem CID 24708456) has the molecular formula C12H8BrFN2O2 and a molecular weight of 311.11 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide
PubChem CID24708456
Molecular FormulaC12H8BrFN2O2
Molecular Weight311.11 g/mol
Exact Mass309.98
IUPAC Name6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C12H8BrFN2O2/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-16-11)12(15)17/h1-6H,(H2,15,17)
InChIKeyRVPFYHPTCBGHHI-UHFFFAOYSA-N
XLogP2.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide (CID 24708456) is 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide?
The InChIKey is RVPFYHPTCBGHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O2/c13-9-5-8(14)2-3-10(9)18-11-4-1-7(6-16-11)12(15)17/h1-6H,(H2,15,17).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide?
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide has a molecular weight of 311.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24708456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).