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

C16H25FN2 — CID 143665793

IUPACethane;2-fluoro-4-methylpyridine;3-methylpyridine
SMILESCC.CC.Cc1cccnc1.Cc1ccnc(F)c1
InChIInChI=1S/C6H6FN.C6H7N.2C2H6/c1-5-2-3-8-6(7)4-5;1-6-3-2-4-7-5-6;2*1-2/h2-4H,1H3;2-5H,1H3;2*1-2H3
InChIKeyNABUASIKTNRFKF-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.97
Rot. Bonds

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

ethane;2-fluoro-4-methylpyridine;3-methylpyridine (PubChem CID 143665793) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is ethane;2-fluoro-4-methylpyridine;3-methylpyridine.

Molecular Properties

Compound Nameethane;2-fluoro-4-methylpyridine;3-methylpyridine
PubChem CID143665793
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Nameethane;2-fluoro-4-methylpyridine;3-methylpyridine
SMILESCC.CC.Cc1cccnc1.Cc1ccnc(F)c1
InChIInChI=1S/C6H6FN.C6H7N.2C2H6/c1-5-2-3-8-6(7)4-5;1-6-3-2-4-7-5-6;2*1-2/h2-4H,1H3;2-5H,1H3;2*1-2H3
InChIKeyNABUASIKTNRFKF-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylpyridine;hydroiodide
CID 143140941
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
3-methylpyridine;4-methylpyridine
CID 21425791
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline
CID 157381211
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
methoxyethane;3-methylpyridine
CID 144662760

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-methylpyridine;3-methylpyridine?
The IUPAC name of ethane;2-fluoro-4-methylpyridine;3-methylpyridine (CID 143665793) is ethane;2-fluoro-4-methylpyridine;3-methylpyridine.
What is the SMILES notation for ethane;2-fluoro-4-methylpyridine;3-methylpyridine?
The canonical SMILES for ethane;2-fluoro-4-methylpyridine;3-methylpyridine is CC.CC.Cc1cccnc1.Cc1ccnc(F)c1.
What is the InChIKey of ethane;2-fluoro-4-methylpyridine;3-methylpyridine?
The InChIKey is NABUASIKTNRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.C6H7N.2C2H6/c1-5-2-3-8-6(7)4-5;1-6-3-2-4-7-5-6;2*1-2/h2-4H,1H3;2-5H,1H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-4-methylpyridine;3-methylpyridine?
ethane;2-fluoro-4-methylpyridine;3-methylpyridine has a molecular weight of 264.39 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-methylpyridine;3-methylpyridine is sourced from PubChem (CID 143665793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).