2-fluoro-5-hexoxypyridine

C11H16FNO — CID 115371648

IUPAC2-fluoro-5-hexoxypyridine
SMILESCCCCCCOc1ccc(F)nc1
InChIInChI=1S/C11H16FNO/c1-2-3-4-5-8-14-10-6-7-11(12)13-9-10/h6-7,9H,2-5,8H2,1H3
InChIKeyMHVXLOPBEXIRAA-UHFFFAOYSA-N
MW197.25 g/mol
LogP3.18
Rot. Bonds6

About 2-fluoro-5-hexoxypyridine

2-fluoro-5-hexoxypyridine (PubChem CID 115371648) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-fluoro-5-hexoxypyridine.

Molecular Properties

Compound Name2-fluoro-5-hexoxypyridine
PubChem CID115371648
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-fluoro-5-hexoxypyridine
SMILESCCCCCCOc1ccc(F)nc1
InChIInChI=1S/C11H16FNO/c1-2-3-4-5-8-14-10-6-7-11(12)13-9-10/h6-7,9H,2-5,8H2,1H3
InChIKeyMHVXLOPBEXIRAA-UHFFFAOYSA-N
XLogP3.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
CID 19765813
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
5-octoxypyridin-2-amine
CID 43126983
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
2-fluoro-5-[3-(2-methoxyethoxy)propoxy]pyridine
CID 103415782
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112592625
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hexoxypyridine?
The IUPAC name of 2-fluoro-5-hexoxypyridine (CID 115371648) is 2-fluoro-5-hexoxypyridine.
What is the SMILES notation for 2-fluoro-5-hexoxypyridine?
The canonical SMILES for 2-fluoro-5-hexoxypyridine is CCCCCCOc1ccc(F)nc1.
What is the InChIKey of 2-fluoro-5-hexoxypyridine?
The InChIKey is MHVXLOPBEXIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-3-4-5-8-14-10-6-7-11(12)13-9-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-fluoro-5-hexoxypyridine?
2-fluoro-5-hexoxypyridine has a molecular weight of 197.25 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hexoxypyridine is sourced from PubChem (CID 115371648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).