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

C17H14F3NO6 — CID 22923875

IUPAC5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cnc(C(=O)O)c(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3NO6/c1-2-25-16(24)11-7-13(14(15(22)23)21-8-11)26-9-10-3-5-12(6-4-10)27-17(18,19)20/h3-8H,2,9H2,1H3,(H,22,23)
InChIKeyVLEKNQKZFILROY-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.43
Rot. Bonds7

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

5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid (PubChem CID 22923875) has the molecular formula C17H14F3NO6 and a molecular weight of 385.29 g/mol. Its IUPAC name is 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
PubChem CID22923875
Molecular FormulaC17H14F3NO6
Molecular Weight385.29 g/mol
Exact Mass385.08
IUPAC Name5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cnc(C(=O)O)c(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3NO6/c1-2-25-16(24)11-7-13(14(15(22)23)21-8-11)26-9-10-3-5-12(6-4-10)27-17(18,19)20/h3-8H,2,9H2,1H3,(H,22,23)
InChIKeyVLEKNQKZFILROY-UHFFFAOYSA-N
XLogP3.43
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
3-[(4-fluorophenyl)methoxy]-5-(3,7,11-trimethyldodeca-2,6,10-trienoxycarbonyl)pyridine-2-carboxylic acid
CID 67715978
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-3-carboxylate
CID 67690951
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
ethyl 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 56526112
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid (CID 22923875) is 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid is CCOC(=O)c1cnc(C(=O)O)c(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is VLEKNQKZFILROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO6/c1-2-25-16(24)11-7-13(14(15(22)23)21-8-11)26-9-10-3-5-12(6-4-10)27-17(18,19)20/h3-8H,2,9H2,1H3,(H,22,23).
What are the key properties of 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid?
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 385.29 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).