[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate

C10H11F3N2O3 — CID 175338177

IUPAC[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
SMILESCc1cc(COC(N)=O)cnc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-6-2-7(4-17-9(14)16)3-15-8(6)18-5-10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,16)
InChIKeyPWZLEBGGJMPCHB-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.93
Rot. Bonds4

About [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate

[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate (PubChem CID 175338177) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
PubChem CID175338177
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
SMILESCc1cc(COC(N)=O)cnc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-6-2-7(4-17-9(14)16)3-15-8(6)18-5-10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,16)
InChIKeyPWZLEBGGJMPCHB-UHFFFAOYSA-N
XLogP1.93
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate?
The IUPAC name of [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate (CID 175338177) is [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate.
What is the SMILES notation for [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate?
The canonical SMILES for [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate is Cc1cc(COC(N)=O)cnc1OCC(F)(F)F.
What is the InChIKey of [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate?
The InChIKey is PWZLEBGGJMPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-6-2-7(4-17-9(14)16)3-15-8(6)18-5-10(11,12)13/h2-3H,4-5H2,1H3,(H2,14,16).
What are the key properties of [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate?
[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate has a molecular weight of 264.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate is sourced from PubChem (CID 175338177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).