dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate

C19H21F2NO5 — CID 15063535

IUPACdimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)C(C(=O)OC)=C1c1ccccc1OC(F)F
InChIInChI=1S/C19H21F2NO5/c1-10-14(17(23)25-4)16(15(18(24)26-5)11(2)22(10)3)12-8-6-7-9-13(12)27-19(20)21/h6-10,19H,1-5H3
InChIKeyPVULBLKBXMLBOC-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.00
Rot. Bonds5

About dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate

dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate (PubChem CID 15063535) has the molecular formula C19H21F2NO5 and a molecular weight of 381.38 g/mol. Its IUPAC name is dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate
PubChem CID15063535
Molecular FormulaC19H21F2NO5
Molecular Weight381.38 g/mol
Exact Mass381.14
IUPAC Namedimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)C(C(=O)OC)=C1c1ccccc1OC(F)F
InChIInChI=1S/C19H21F2NO5/c1-10-14(17(23)25-4)16(15(18(24)26-5)11(2)22(10)3)12-8-6-7-9-13(12)27-19(20)21/h6-10,19H,1-5H3
InChIKeyPVULBLKBXMLBOC-UHFFFAOYSA-N
XLogP3.00
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (6S)-6-[2-(difluoromethoxy)phenyl]-3-[(2S)-1-methoxypropan-2-yl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 9449520
3-[(6S)-6-[2-(difluoromethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium
CID 8863894
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507
methyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
CID 71454743
methyl (6S)-6-[2-(difluoromethoxy)phenyl]-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8947585
4-[(6R)-6-[2-(difluoromethoxy)phenyl]-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 8649685
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
methyl 2-methyl-3-oxoindene-1-carboxylate
CID 608758
methyl 2-[[2-(difluoromethoxy)phenyl]-hydroxymethyl]-3-methylbutanoate
CID 62395965
dimethyl 1,2,5-trimethyl-1-benzazepine-3,4-dicarboxylate
CID 13143653
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
methyl (4R)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 8822634

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate (CID 15063535) is dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(C)C(C)C(C(=O)OC)=C1c1ccccc1OC(F)F.
What is the InChIKey of dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate?
The InChIKey is PVULBLKBXMLBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO5/c1-10-14(17(23)25-4)16(15(18(24)26-5)11(2)22(10)3)12-8-6-7-9-13(12)27-19(20)21/h6-10,19H,1-5H3.
What are the key properties of dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate?
dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate has a molecular weight of 381.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[2-(difluoromethoxy)phenyl]-1,2,6-trimethyl-2H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 15063535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).