6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid

C19H21NO5 — CID 66835543

IUPAC6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid
SMILESCCOc1ncc(C(=O)O)cc1-c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H21NO5/c1-5-24-16-15(10-14(11-20-16)17(21)22)12-6-8-13(9-7-12)18(23)25-19(2,3)4/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyQGAQREOBIRUUSA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.80
Rot. Bonds5

About 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid

6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 66835543) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid
PubChem CID66835543
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid
SMILESCCOc1ncc(C(=O)O)cc1-c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H21NO5/c1-5-24-16-15(10-14(11-20-16)17(21)22)12-6-8-13(9-7-12)18(23)25-19(2,3)4/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyQGAQREOBIRUUSA-UHFFFAOYSA-N
XLogP3.80
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
5-bromo-6-ethoxypyridine-3-carboxylic acid
CID 66835474
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
4-[4-(4-carboxyphenyl)-2,5-diethoxyphenyl]benzoic acid
CID 122385640
tert-butyl 4-(3-ethoxy-2-ethynylphenyl)benzoate
CID 178183501
tert-butyl 4-bromo-3-ethoxybenzoate
CID 146034938
tert-butyl 4-[5-(hydroxymethyl)-2-methylphenyl]benzoate
CID 178183523
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid (CID 66835543) is 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid is CCOc1ncc(C(=O)O)cc1-c1ccc(C(=O)OC(C)(C)C)cc1.
What is the InChIKey of 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is QGAQREOBIRUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-5-24-16-15(10-14(11-20-16)17(21)22)12-6-8-13(9-7-12)18(23)25-19(2,3)4/h6-11H,5H2,1-4H3,(H,21,22).
What are the key properties of 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid?
6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 66835543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).