ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate

C18H21F2NO3 — CID 144561639

IUPACethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
SMILESCC.COc1ccc(-c2nc(C(=O)OC(C)C)cc(F)c2F)cc1
InChIInChI=1S/C16H15F2NO3.C2H6/c1-9(2)22-16(20)13-8-12(17)14(18)15(19-13)10-4-6-11(21-3)7-5-10;1-2/h4-9H,1-3H3;1-2H3
InChIKeyZMBFCJSEPGNOID-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.63
Rot. Bonds4

About ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate

ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 144561639) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
PubChem CID144561639
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Nameethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
SMILESCC.COc1ccc(-c2nc(C(=O)OC(C)C)cc(F)c2F)cc1
InChIInChI=1S/C16H15F2NO3.C2H6/c1-9(2)22-16(20)13-8-12(17)14(18)15(19-13)10-4-6-11(21-3)7-5-10;1-2/h4-9H,1-3H3;1-2H3
InChIKeyZMBFCJSEPGNOID-UHFFFAOYSA-N
XLogP4.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carbonyl fluoride;ethane
CID 144561636
propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
CID 155594282
propan-2-yl 6-fluoropyridine-2-carboxylate
CID 57438917
propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
CID 82634698
2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate
CID 3652370
2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
CID 102219519
propan-2-yl 6-chloro-3-(4-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxylate
CID 54471266
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
propan-2-yl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1379079
propan-2-yl 4-(2-fluorophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842627
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135820
propan-2-yl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56689857

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate (CID 144561639) is ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate is CC.COc1ccc(-c2nc(C(=O)OC(C)C)cc(F)c2F)cc1.
What is the InChIKey of ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is ZMBFCJSEPGNOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3.C2H6/c1-9(2)22-16(20)13-8-12(17)14(18)15(19-13)10-4-6-11(21-3)7-5-10;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate?
ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 337.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 144561639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).