2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine

C14H12FNO2 — CID 170558536

IUPAC2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine
SMILESFc1nc([C@@H]2CO2)ccc1OCc1ccccc1
InChIInChI=1S/C14H12FNO2/c15-14-12(7-6-11(16-14)13-9-18-13)17-8-10-4-2-1-3-5-10/h1-7,13H,8-9H2/t13-/m0/s1
InChIKeyJOJIBQIHIKJONF-ZDUSSCGKSA-N
MW245.25 g/mol
LogP2.87
Rot. Bonds4

About 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine

2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine (PubChem CID 170558536) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine
PubChem CID170558536
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine
SMILESFc1nc([C@@H]2CO2)ccc1OCc1ccccc1
InChIInChI=1S/C14H12FNO2/c15-14-12(7-6-11(16-14)13-9-18-13)17-8-10-4-2-1-3-5-10/h1-7,13H,8-9H2/t13-/m0/s1
InChIKeyJOJIBQIHIKJONF-ZDUSSCGKSA-N
XLogP2.87
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.87
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-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
CID 170558457
[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol
CID 18628101
4-(oxiran-2-ylmethyl)-2-phenylmethoxyphenol
CID 57057624
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954
ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
CID 142244182
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
2-(2-chloro-4-phenylmethoxyphenyl)oxirane
CID 146020828
4-(2-phenylmethoxyphenyl)triazine
CID 129278501
1,2-bis(phenylmethoxy)naphthalene
CID 67710722

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine?
The IUPAC name of 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine (CID 170558536) is 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine.
What is the SMILES notation for 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine?
The canonical SMILES for 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine is Fc1nc([C@@H]2CO2)ccc1OCc1ccccc1.
What is the InChIKey of 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine?
The InChIKey is JOJIBQIHIKJONF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-14-12(7-6-11(16-14)13-9-18-13)17-8-10-4-2-1-3-5-10/h1-7,13H,8-9H2/t13-/m0/s1.
What are the key properties of 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine?
2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine has a molecular weight of 245.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine is sourced from PubChem (CID 170558536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).