dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate

C15H19F2NO4 — CID 102268089

IUPACdimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate
SMILESCCCc1c(C(=O)OC)c(CC)nc(C(F)F)c1C(=O)OC
InChIInChI=1S/C15H19F2NO4/c1-5-7-8-10(14(19)21-3)9(6-2)18-12(13(16)17)11(8)15(20)22-4/h13H,5-7H2,1-4H3
InChIKeyLBVKYGGKVRGXKO-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.11
Rot. Bonds6

About dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate

dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate (PubChem CID 102268089) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate
PubChem CID102268089
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Namedimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate
SMILESCCCc1c(C(=O)OC)c(CC)nc(C(F)F)c1C(=O)OC
InChIInChI=1S/C15H19F2NO4/c1-5-7-8-10(14(19)21-3)9(6-2)18-12(13(16)17)11(8)15(20)22-4/h13H,5-7H2,1-4H3
InChIKeyLBVKYGGKVRGXKO-UHFFFAOYSA-N
XLogP3.11
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2,6-bis(difluoromethyl)-4-propylpyridine-3,5-dicarboxylate;diethyl 4-(methoxymethyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylate
CID 158893552
methyl 5-bromo-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylate
CID 15117644
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535
methyl 5-cyano-4-(cyclopropylmethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 22668876
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
2-[6-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylpropyl)-2-(trifluoromethyl)-3-pyridinyl]-2-oxoacetic acid
CID 57258105
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate (CID 102268089) is dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate is CCCc1c(C(=O)OC)c(CC)nc(C(F)F)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate?
The InChIKey is LBVKYGGKVRGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-5-7-8-10(14(19)21-3)9(6-2)18-12(13(16)17)11(8)15(20)22-4/h13H,5-7H2,1-4H3.
What are the key properties of dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate?
dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate has a molecular weight of 315.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 102268089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).