2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine

C15H13F2NO2 — CID 142614271

IUPAC2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine
SMILESCc1ccc(-c2cc(F)nc(F)c2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C15H13F2NO2/c1-9-2-3-12(10-5-14(16)18-15(17)6-10)13(4-9)20-8-11-7-19-11/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyFWNMRWHCTLTERS-NSHDSACASA-N
MW277.27 g/mol
LogP3.11
Rot. Bonds4

About 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine

2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine (PubChem CID 142614271) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine
PubChem CID142614271
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine
SMILESCc1ccc(-c2cc(F)nc(F)c2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C15H13F2NO2/c1-9-2-3-12(10-5-14(16)18-15(17)6-10)13(4-9)20-8-11-7-19-11/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyFWNMRWHCTLTERS-NSHDSACASA-N
XLogP3.11
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine
CID 142614388
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
CID 142614191
(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302
(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane
CID 131853368
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
2-[4-methyl-2-(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)isoindole-1,3-dione
CID 139773417
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]oxirane
CID 87657990
2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
CID 129094050
4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
CID 142614400

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine?
The IUPAC name of 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine (CID 142614271) is 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine is Cc1ccc(-c2cc(F)nc(F)c2)c(OC[C@@H]2CO2)c1.
What is the InChIKey of 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine?
The InChIKey is FWNMRWHCTLTERS-NSHDSACASA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-9-2-3-12(10-5-14(16)18-15(17)6-10)13(4-9)20-8-11-7-19-11/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine?
2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine has a molecular weight of 277.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 142614271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).