2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine

C13H8BrFN2O — CID 155612962

IUPAC2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
SMILES[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1
InChIInChI=1S/C13H8BrFN2O/c1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13/h2-7H,8H2
InChIKeyVBCZAECRWCPQRK-UHFFFAOYSA-N
MW307.12 g/mol
LogP4.11
Rot. Bonds3

About 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine (PubChem CID 155612962) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
PubChem CID155612962
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
SMILES[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1
InChIInChI=1S/C13H8BrFN2O/c1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13/h2-7H,8H2
InChIKeyVBCZAECRWCPQRK-UHFFFAOYSA-N
XLogP4.11
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612920
N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
CID 166089636
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
1-(difluoromethoxymethyl)-2-fluoro-4-isocyanobenzene
CID 169060451
N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
CID 166089312
6-bromo-2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
CID 155627041
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
2-[[2-chloro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
CID 160947123
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
CID 160947127
3-[2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazol-1-yl]-2,2-dimethylpropanenitrile
CID 159113119
(6-bromo-2-pyridinyl)oxymethanethiol
CID 87273742

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
The IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine (CID 155612962) is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
The canonical SMILES for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine is [C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.
What is the InChIKey of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
The InChIKey is VBCZAECRWCPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13/h2-7H,8H2.
What are the key properties of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine has a molecular weight of 307.12 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine is sourced from PubChem (CID 155612962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).