2-fluoro-3-(phenylmethoxymethoxy)pyridine

C13H12FNO2 — CID 102941131

IUPAC2-fluoro-3-(phenylmethoxymethoxy)pyridine
SMILESFc1ncccc1OCOCc1ccccc1
InChIInChI=1S/C13H12FNO2/c14-13-12(7-4-8-15-13)17-10-16-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeySZQHLHCKDKRGAJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.77
Rot. Bonds5

About 2-fluoro-3-(phenylmethoxymethoxy)pyridine

2-fluoro-3-(phenylmethoxymethoxy)pyridine (PubChem CID 102941131) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-fluoro-3-(phenylmethoxymethoxy)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(phenylmethoxymethoxy)pyridine
PubChem CID102941131
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-fluoro-3-(phenylmethoxymethoxy)pyridine
SMILESFc1ncccc1OCOCc1ccccc1
InChIInChI=1S/C13H12FNO2/c14-13-12(7-4-8-15-13)17-10-16-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeySZQHLHCKDKRGAJ-UHFFFAOYSA-N
XLogP2.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
3-ethoxy-2-fluoropyridine
CID 11355527
5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
CID 102939333
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
2-methyl-3-(phenylmethoxymethoxy)phenol
CID 102939968
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
CID 101190162
5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
CID 102939947
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(phenylmethoxymethoxy)pyridine?
The IUPAC name of 2-fluoro-3-(phenylmethoxymethoxy)pyridine (CID 102941131) is 2-fluoro-3-(phenylmethoxymethoxy)pyridine.
What is the SMILES notation for 2-fluoro-3-(phenylmethoxymethoxy)pyridine?
The canonical SMILES for 2-fluoro-3-(phenylmethoxymethoxy)pyridine is Fc1ncccc1OCOCc1ccccc1.
What is the InChIKey of 2-fluoro-3-(phenylmethoxymethoxy)pyridine?
The InChIKey is SZQHLHCKDKRGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-13-12(7-4-8-15-13)17-10-16-9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-fluoro-3-(phenylmethoxymethoxy)pyridine?
2-fluoro-3-(phenylmethoxymethoxy)pyridine has a molecular weight of 233.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(phenylmethoxymethoxy)pyridine is sourced from PubChem (CID 102941131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).