methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate

C17H17F3N2O2 — CID 156541318

IUPACmethyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2nc(N)ccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-16(2,15(23)24-3)11-6-4-10(5-7-11)14-12(17(18,19)20)8-9-13(21)22-14/h4-9H,1-3H3,(H2,21,22)
InChIKeyFWKJJZANNYGSJE-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.80
Rot. Bonds3

About methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate

methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate (PubChem CID 156541318) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate
PubChem CID156541318
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Namemethyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2nc(N)ccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-16(2,15(23)24-3)11-6-4-10(5-7-11)14-12(17(18,19)20)8-9-13(21)22-14/h4-9H,1-3H3,(H2,21,22)
InChIKeyFWKJJZANNYGSJE-UHFFFAOYSA-N
XLogP3.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[6-(2,2-Difluoro-2-phenyl-ethylamino)-2-methoxy-pyrimidin-4-yl]-phenyl}-2-methyl-propionic acid
CID 53321679
Methyl (4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}phenyl)acetate
CID 1970670
2-[4-[(6-Methyl-2-pyridinyl)amino]phenyl]propanoic acid
CID 13054256
4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid methyl ester
CID 56604588
6-Amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
CID 53229431
Benzeneacetic acid, alpha-[[[(6-methyl-2-pyridinyl)amino]carbonyl]amino]-alpha-(trifluoromethyl)-, ethyl ester
CID 16763863
Ethyl 1-[3-cyano-6-(trifluoromethyl)pyridin-2-yl]-4-phenylpiperidine-4-carboxylate
CID 58873381
Ethyl 1-[3-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]-4-phenylpiperidine-4-carboxylate
CID 58873773
2-[2-[Isobutyl-(4-trifluoromethyl-phenyl)-amino]-6-(4-trifluoromethyl-phenyl)-pyridin-4-yl]-4-methyl-pent-4-enoic acid methyl ester
CID 59161730
Methyl 1-[3-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]-4-phenylpiperidine-4-carboxylate
CID 59830797
[2-Methyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester
CID 67072318
2-[4-[4-[6-(3-Fluoroanilino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 89653514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate (CID 156541318) is methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(-c2nc(N)ccc2C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate?
The InChIKey is FWKJJZANNYGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-16(2,15(23)24-3)11-6-4-10(5-7-11)14-12(17(18,19)20)8-9-13(21)22-14/h4-9H,1-3H3,(H2,21,22).
What are the key properties of methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate?
methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate has a molecular weight of 338.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-amino-3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methylpropanoate is sourced from PubChem (CID 156541318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).