methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate

C14H15F3N2O2 — CID 67007476

IUPACmethyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncccc2C(F)(F)F)CC1C
InChIInChI=1S/C14H15F3N2O2/c1-9-8-19(7-5-10(9)13(20)21-2)12-11(14(15,16)17)4-3-6-18-12/h3-6,9H,7-8H2,1-2H3
InChIKeyWPQPPDKSFGVTFI-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.66
Rot. Bonds2

About methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate

methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 67007476) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID67007476
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Namemethyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncccc2C(F)(F)F)CC1C
InChIInChI=1S/C14H15F3N2O2/c1-9-8-19(7-5-10(9)13(20)21-2)12-11(14(15,16)17)4-3-6-18-12/h3-6,9H,7-8H2,1-2H3
InChIKeyWPQPPDKSFGVTFI-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate (CID 67007476) is methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(c2ncccc2C(F)(F)F)CC1C.
What is the InChIKey of methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is WPQPPDKSFGVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9-8-19(7-5-10(9)13(20)21-2)12-11(14(15,16)17)4-3-6-18-12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 300.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 67007476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).