ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate

C11H13F2NO3 — CID 133100498

IUPACethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(C)c1OC
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)7-5-14-8(10(12)13)6(2)9(7)16-3/h5,10H,4H2,1-3H3
InChIKeyOJEJJYDCVCENBI-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.51
Rot. Bonds4

About ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate

ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate (PubChem CID 133100498) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
PubChem CID133100498
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(C)c1OC
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)7-5-14-8(10(12)13)6(2)9(7)16-3/h5,10H,4H2,1-3H3
InChIKeyOJEJJYDCVCENBI-UHFFFAOYSA-N
XLogP2.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Methyl 4-methoxy-8-(trifluoromethyl)-3-quinolinecarboxylate
CID 1512190
Methyl 4-Methoxynicotinate
CID 10678657
Methyl 5-methoxy-6-methylpyridine-3-carboxylate
CID 119135682
2-Methoxy-4-(trifluoromethyl)nicotinic acid
CID 50853166
Methyl 2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxylate
CID 677485
4-Methoxy-6-methylpyridine-3-carbaldehyde
CID 59928313
Ethyl 6-(difluoromethyl)pyridine-3-carboxylate
CID 102229147
Ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate
CID 118617535
3-Acetyl-2-(trifluoromethyl)-4-pyridyl acetate
CID 723670
Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate
CID 11390362
Diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate
CID 15163569

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate (CID 133100498) is ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)c(C)c1OC.
What is the InChIKey of ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
The InChIKey is OJEJJYDCVCENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-4-17-11(15)7-5-14-8(10(12)13)6(2)9(7)16-3/h5,10H,4H2,1-3H3.
What are the key properties of ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate has a molecular weight of 245.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 133100498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).