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

C13H8ClFN2O — CID 155612920

IUPAC2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
SMILES[C-]#[N+]c1ccc(COc2cccc(Cl)n2)c(F)c1
InChIInChI=1S/C13H8ClFN2O/c1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13/h2-7H,8H2
InChIKeyRZXGNQPQVHXGBA-UHFFFAOYSA-N
MW262.67 g/mol
LogP4.00
Rot. Bonds3

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

2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine (PubChem CID 155612920) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
PubChem CID155612920
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
SMILES[C-]#[N+]c1ccc(COc2cccc(Cl)n2)c(F)c1
InChIInChI=1S/C13H8ClFN2O/c1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13/h2-7H,8H2
InChIKeyRZXGNQPQVHXGBA-UHFFFAOYSA-N
XLogP4.00
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 54.00
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-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612962
4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
2-chloro-6-[(2,4-dichlorophenyl)methoxy]pyridine
CID 121012693
1-(difluoromethoxymethyl)-2-fluoro-4-isocyanobenzene
CID 169060451
2-[[2-chloro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
CID 160947123
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine
CID 12760119
2-[(6-chloro-2-pyridinyl)oxy]ethanamine
CID 89179047
sodium;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;(4-chloro-2-fluorophenyl)methanol;2,6-dibromopyridine;hydride;oxolane
CID 159930111
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
2-chloro-6-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 155612931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
The IUPAC name of 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine (CID 155612920) is 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
The canonical SMILES for 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine is [C-]#[N+]c1ccc(COc2cccc(Cl)n2)c(F)c1.
What is the InChIKey of 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
The InChIKey is RZXGNQPQVHXGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/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-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine?
2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine has a molecular weight of 262.67 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine is sourced from PubChem (CID 155612920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).