ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate

C10H13F3N2O2 — CID 156850074

IUPACethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCC.COC(=O)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C8H7F3N2O2.C2H6/c1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12;1-2/h2-3H,1H3,(H2,12,13);1-2H3
InChIKeyBERSELBZNGUEOL-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.50
Rot. Bonds1

About ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate

ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 156850074) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID156850074
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Nameethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCC.COC(=O)c1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C8H7F3N2O2.C2H6/c1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12;1-2/h2-3H,1H3,(H2,12,13);1-2H3
InChIKeyBERSELBZNGUEOL-UHFFFAOYSA-N
XLogP2.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-5-[3,5-bis(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 169133865
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
ethane;methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoate
CID 144894473
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate (CID 156850074) is ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate is CC.COC(=O)c1cc(C(F)(F)F)cnc1N.
What is the InChIKey of ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is BERSELBZNGUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2.C2H6/c1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12;1-2/h2-3H,1H3,(H2,12,13);1-2H3.
What are the key properties of ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate?
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 250.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 156850074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).