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

C15H12F3NO4 — CID 22923731

IUPAC3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESCOc1c(OCc2ccc(C(F)(F)F)cc2)ccnc1C(=O)O
InChIInChI=1S/C15H12F3NO4/c1-22-13-11(6-7-19-12(13)14(20)21)23-8-9-2-4-10(5-3-9)15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyNHMFMKBKVRSBKI-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.39
Rot. Bonds5

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

3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid (PubChem CID 22923731) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
PubChem CID22923731
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
SMILESCOc1c(OCc2ccc(C(F)(F)F)cc2)ccnc1C(=O)O
InChIInChI=1S/C15H12F3NO4/c1-22-13-11(6-7-19-12(13)14(20)21)23-8-9-2-4-10(5-3-9)15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyNHMFMKBKVRSBKI-UHFFFAOYSA-N
XLogP3.39
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812
N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
CID 54425094
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 19960297
4-butoxy-3-ethoxypyridine-2-carboxylic acid
CID 22923784
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
3-methoxypyrazine-2-carboxylic acid
CID 22395692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid (CID 22923731) is 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid is COc1c(OCc2ccc(C(F)(F)F)cc2)ccnc1C(=O)O.
What is the InChIKey of 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
The InChIKey is NHMFMKBKVRSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-22-13-11(6-7-19-12(13)14(20)21)23-8-9-2-4-10(5-3-9)15(16,17)18/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid?
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid has a molecular weight of 327.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).