methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate

C18H18F3NO6 — CID 137406753

IUPACmethyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(C)(C)O)cc1Oc1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C18H18F3NO6/c1-17(2,24)15-8-13(11(9-22-15)16(23)26-4)27-12-6-5-10(7-14(12)25-3)28-18(19,20)21/h5-9,24H,1-4H3
InChIKeyFNBRWFJOJGAUTF-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.80
Rot. Bonds6

About methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate

methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate (PubChem CID 137406753) has the molecular formula C18H18F3NO6 and a molecular weight of 401.34 g/mol. Its IUPAC name is methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
PubChem CID137406753
Molecular FormulaC18H18F3NO6
Molecular Weight401.34 g/mol
Exact Mass401.11
IUPAC Namemethyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(C)(C)O)cc1Oc1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C18H18F3NO6/c1-17(2,24)15-8-13(11(9-22-15)16(23)26-4)27-12-6-5-10(7-14(12)25-3)28-18(19,20)21/h5-9,24H,1-4H3
InChIKeyFNBRWFJOJGAUTF-UHFFFAOYSA-N
XLogP3.80
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
CID 137406464
5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
CID 154645452
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 137406655
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 147206874
methyl 6-chloro-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxylate
CID 154645340
methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
CID 137406774
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride;3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162050583

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate (CID 137406753) is methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate is COC(=O)c1cnc(C(C)(C)O)cc1Oc1ccc(OC(F)(F)F)cc1OC.
What is the InChIKey of methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
The InChIKey is FNBRWFJOJGAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO6/c1-17(2,24)15-8-13(11(9-22-15)16(23)26-4)27-12-6-5-10(7-14(12)25-3)28-18(19,20)21/h5-9,24H,1-4H3.
What are the key properties of methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate?
methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate has a molecular weight of 401.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 137406753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).