3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide

C13H10BrFN2O2 — CID 65101965

IUPAC3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COc2cccnc2Br)c1
InChIInChI=1S/C13H10BrFN2O2/c14-12-11(2-1-5-17-12)19-7-9-6-8(13(16)18)3-4-10(9)15/h1-6H,7H2,(H2,16,18)
InChIKeyNQQCLPPIEUKOTK-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.66
Rot. Bonds4

About 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide

3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide (PubChem CID 65101965) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
PubChem CID65101965
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COc2cccnc2Br)c1
InChIInChI=1S/C13H10BrFN2O2/c14-12-11(2-1-5-17-12)19-7-9-6-8(13(16)18)3-4-10(9)15/h1-6H,7H2,(H2,16,18)
InChIKeyNQQCLPPIEUKOTK-UHFFFAOYSA-N
XLogP2.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
2-bromo-3-[(5-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695175
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695221
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide (CID 65101965) is 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(COc2cccnc2Br)c1.
What is the InChIKey of 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide?
The InChIKey is NQQCLPPIEUKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-12-11(2-1-5-17-12)19-7-9-6-8(13(16)18)3-4-10(9)15/h1-6H,7H2,(H2,16,18).
What are the key properties of 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide?
3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide has a molecular weight of 325.14 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide is sourced from PubChem (CID 65101965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).