ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine

C29H39FN4O2 — CID 145008302

IUPACethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine
SMILESCC.CCc1cncc(F)c1.CCc1cncc(OC)c1.COc1cccnc1.Cc1cccnc1
InChIInChI=1S/C8H11NO.C7H8FN.C6H7NO.C6H7N.C2H6/c1-3-7-4-8(10-2)6-9-5-7;1-2-6-3-7(8)5-9-4-6;1-8-6-3-2-4-7-5-6;1-6-3-2-4-7-5-6;1-2/h4-6H,3H2,1-2H3;3-5H,2H2,1H3;2-5H,1H3;2-5H,1H3;1-2H3
InChIKeyDNMHZDXFZAECJQ-UHFFFAOYSA-N
MW494.66 g/mol
LogP6.94
Rot. Bonds4

About ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine

ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine (PubChem CID 145008302) has the molecular formula C29H39FN4O2 and a molecular weight of 494.66 g/mol. Its IUPAC name is ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine.

Molecular Properties

Compound Nameethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine
PubChem CID145008302
Molecular FormulaC29H39FN4O2
Molecular Weight494.66 g/mol
Exact Mass494.31
IUPAC Nameethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine
SMILESCC.CCc1cncc(F)c1.CCc1cncc(OC)c1.COc1cccnc1.Cc1cccnc1
InChIInChI=1S/C8H11NO.C7H8FN.C6H7NO.C6H7N.C2H6/c1-3-7-4-8(10-2)6-9-5-7;1-2-6-3-7(8)5-9-4-6;1-8-6-3-2-4-7-5-6;1-6-3-2-4-7-5-6;1-2/h4-6H,3H2,1-2H3;3-5H,2H2,1H3;2-5H,1H3;2-5H,1H3;1-2H3
InChIKeyDNMHZDXFZAECJQ-UHFFFAOYSA-N
XLogP6.94
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine?
The IUPAC name of ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine (CID 145008302) is ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine.
What is the SMILES notation for ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine?
The canonical SMILES for ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine is CC.CCc1cncc(F)c1.CCc1cncc(OC)c1.COc1cccnc1.Cc1cccnc1.
What is the InChIKey of ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine?
The InChIKey is DNMHZDXFZAECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H8FN.C6H7NO.C6H7N.C2H6/c1-3-7-4-8(10-2)6-9-5-7;1-2-6-3-7(8)5-9-4-6;1-8-6-3-2-4-7-5-6;1-6-3-2-4-7-5-6;1-2/h4-6H,3H2,1-2H3;3-5H,2H2,1H3;2-5H,1H3;2-5H,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine?
ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine has a molecular weight of 494.66 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine is sourced from PubChem (CID 145008302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).