methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid

C10H11F3N2O3 — CID 70982934

IUPACmethyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid
SMILESCc1cc(N(C)C(=O)O)cc(OCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O3/c1-6-3-7(15(2)9(16)17)4-8(14-6)18-5-10(11,12)13/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyOHNJOHSDBYGTSE-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.45
Rot. Bonds3

About methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid

methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid (PubChem CID 70982934) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid
PubChem CID70982934
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Namemethyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid
SMILESCc1cc(N(C)C(=O)O)cc(OCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O3/c1-6-3-7(15(2)9(16)17)4-8(14-6)18-5-10(11,12)13/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyOHNJOHSDBYGTSE-UHFFFAOYSA-N
XLogP2.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid?
The IUPAC name of methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid (CID 70982934) is methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid.
What is the SMILES notation for methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid?
The canonical SMILES for methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid is Cc1cc(N(C)C(=O)O)cc(OCC(F)(F)F)n1.
What is the InChIKey of methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid?
The InChIKey is OHNJOHSDBYGTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-6-3-7(15(2)9(16)17)4-8(14-6)18-5-10(11,12)13/h3-4H,5H2,1-2H3,(H,16,17).
What are the key properties of methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid?
methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid has a molecular weight of 264.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamic acid is sourced from PubChem (CID 70982934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).