[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 174836579
2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291778
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide
CID 174836552
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
5,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 174746135
N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291764
3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine
CID 174765322
6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
CID 174836774
ethyl 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 87426687
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509894
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 174836824

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).