5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid

C17H14F3NO5 — CID 22923812

IUPAC5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cnc(C(=O)O)c(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3NO5/c1-2-25-16(24)11-7-13(14(15(22)23)21-8-11)26-9-10-3-5-12(6-4-10)17(18,19)20/h3-8H,2,9H2,1H3,(H,22,23)
InChIKeyPXCZOWLSFJZSMG-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.55
Rot. Bonds6

About 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid

5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid (PubChem CID 22923812) has the molecular formula C17H14F3NO5 and a molecular weight of 369.30 g/mol. Its IUPAC name is 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
PubChem CID22923812
Molecular FormulaC17H14F3NO5
Molecular Weight369.30 g/mol
Exact Mass369.08
IUPAC Name5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cnc(C(=O)O)c(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3NO5/c1-2-25-16(24)11-7-13(14(15(22)23)21-8-11)26-9-10-3-5-12(6-4-10)17(18,19)20/h3-8H,2,9H2,1H3,(H,22,23)
InChIKeyPXCZOWLSFJZSMG-UHFFFAOYSA-N
XLogP3.55
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923731
3-[(4-fluorophenyl)methoxy]-5-(3,7,11-trimethyldodeca-2,6,10-trienoxycarbonyl)pyridine-2-carboxylic acid
CID 67715978
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661
1-ethylpyrazole-4-carboxylic acid;ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
CID 175889166
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid (CID 22923812) is 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid is CCOC(=O)c1cnc(C(=O)O)c(OCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is PXCZOWLSFJZSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO5/c1-2-25-16(24)11-7-13(14(15(22)23)21-8-11)26-9-10-3-5-12(6-4-10)17(18,19)20/h3-8H,2,9H2,1H3,(H,22,23).
What are the key properties of 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 369.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).