4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine

C12H17F2NO — CID 177024282

IUPAC4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCCC(C)c1cc(C(F)F)nc(OC)c1C
InChIInChI=1S/C12H17F2NO/c1-5-7(2)9-6-10(11(13)14)15-12(16-4)8(9)3/h6-7,11H,5H2,1-4H3
InChIKeyQVZVJYOHAHICOS-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.85
Rot. Bonds4

About 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine

4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine (PubChem CID 177024282) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine
PubChem CID177024282
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine
SMILESCCC(C)c1cc(C(F)F)nc(OC)c1C
InChIInChI=1S/C12H17F2NO/c1-5-7(2)9-6-10(11(13)14)15-12(16-4)8(9)3/h6-7,11H,5H2,1-4H3
InChIKeyQVZVJYOHAHICOS-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-6-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 177024630
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130068624
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
CID 130100522
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
CID 130109372
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
CID 130073717
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine (CID 177024282) is 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine is CCC(C)c1cc(C(F)F)nc(OC)c1C.
What is the InChIKey of 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine?
The InChIKey is QVZVJYOHAHICOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-5-7(2)9-6-10(11(13)14)15-12(16-4)8(9)3/h6-7,11H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine?
4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine has a molecular weight of 229.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-(difluoromethyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 177024282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).