ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine

C16H22F2N2O2 — CID 145346850

IUPACethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine
SMILESCC.COc1cnc(F)c(C)c1.COc1cnc(F)cc1C
InChIInChI=1S/2C7H8FNO.C2H6/c1-5-3-7(8)9-4-6(5)10-2;1-5-3-6(10-2)4-9-7(5)8;1-2/h2*3-4H,1-2H3;1-2H3
InChIKeyDGUFWSPTRIPHCV-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.10
Rot. Bonds2

About ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine

ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine (PubChem CID 145346850) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine.

Molecular Properties

Compound Nameethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine
PubChem CID145346850
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Nameethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine
SMILESCC.COc1cnc(F)c(C)c1.COc1cnc(F)cc1C
InChIInChI=1S/2C7H8FNO.C2H6/c1-5-3-7(8)9-4-6(5)10-2;1-5-3-6(10-2)4-9-7(5)8;1-2/h2*3-4H,1-2H3;1-2H3
InChIKeyDGUFWSPTRIPHCV-UHFFFAOYSA-N
XLogP4.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-4-methylpyridine
CID 74891147
ethane;2-fluoro-4-methoxy-5-methylpyridine
CID 170582944
2-fluoro-4,5-dimethylpyridine
CID 51600276
(6-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
CID 142770118
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 130093140
ethane;5-methoxy-4-methyl-2-(1-methylcyclopropyl)pyridine
CID 143133902
3-fluoro-7-methoxyisoquinoline
CID 131700060
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
3-methoxy-8-methyl-1,5-naphthyridine
CID 67962476
(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
CID 146531706
1-fluoro-4-methoxyisoquinoline
CID 70979100

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine?
The IUPAC name of ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine (CID 145346850) is ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine.
What is the SMILES notation for ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine?
The canonical SMILES for ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine is CC.COc1cnc(F)c(C)c1.COc1cnc(F)cc1C.
What is the InChIKey of ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine?
The InChIKey is DGUFWSPTRIPHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8FNO.C2H6/c1-5-3-7(8)9-4-6(5)10-2;1-5-3-6(10-2)4-9-7(5)8;1-2/h2*3-4H,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine?
ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine has a molecular weight of 312.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-methoxy-3-methylpyridine;2-fluoro-5-methoxy-4-methylpyridine is sourced from PubChem (CID 145346850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).