methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate

C8H7F3N2O2 — CID 59553883

IUPACmethyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ccnc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c1-15-7(14)5-4(12)2-3-13-6(5)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyINZALLBQCFNGAE-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.47
Rot. Bonds1

About methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate

methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 59553883) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID59553883
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ccnc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c1-15-7(14)5-4(12)2-3-13-6(5)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyINZALLBQCFNGAE-UHFFFAOYSA-N
XLogP1.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-cyanopyridine-3-carboxylate
CID 130935671
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
methyl 2-bromo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 118704454
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098143
methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
methyl 5-amino-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylate
CID 164884349
methyl 5-hydroxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680560
methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134661869
methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate
CID 169249087

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate (CID 59553883) is methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(N)ccnc1C(F)(F)F.
What is the InChIKey of methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is INZALLBQCFNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-7(14)5-4(12)2-3-13-6(5)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate?
methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 220.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 59553883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).