N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide

C14H13BrFN3O2 — CID 166089312

IUPACN-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(COc2cccc(Br)n2)cn1
InChIInChI=1S/C14H13BrFN3O2/c1-9(20)17-7-11-5-12(16)10(6-18-11)8-21-14-4-2-3-13(15)19-14/h2-6H,7-8H2,1H3,(H,17,20)
InChIKeyNNRFUQLDSMJFNE-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.59
Rot. Bonds5

About N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide

N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide (PubChem CID 166089312) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
PubChem CID166089312
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC NameN-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(COc2cccc(Br)n2)cn1
InChIInChI=1S/C14H13BrFN3O2/c1-9(20)17-7-11-5-12(16)10(6-18-11)8-21-14-4-2-3-13(15)19-14/h2-6H,7-8H2,1H3,(H,17,20)
InChIKeyNNRFUQLDSMJFNE-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
CID 166089636
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612962
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
CID 19366333
2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine
CID 166089592
sodium;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;(4-chloro-2-fluorophenyl)methanol;2,6-dibromopyridine;hydride;oxolane
CID 159930111
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]-5-cyanophenyl]-2,2-difluoroacetate
CID 166136513
2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole
CID 166087876
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide
CID 160901268
2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612920
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide (CID 166089312) is N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(F)c(COc2cccc(Br)n2)cn1.
What is the InChIKey of N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide?
The InChIKey is NNRFUQLDSMJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c1-9(20)17-7-11-5-12(16)10(6-18-11)8-21-14-4-2-3-13(15)19-14/h2-6H,7-8H2,1H3,(H,17,20).
What are the key properties of N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide?
N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide has a molecular weight of 354.18 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 166089312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).