Methyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate

HCID 53471982

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Basic information

CAS: 794461-82-8
Standard SMILES: COC(=O)c1cc2c(nc1C(F)(F)F)CCNC2
InChIKey: ROHRKMIUPOLEBP-UHFFFAOYSA-N
Molecular formula: C11H11F3N2O2
Average molar mass: 260.21 g/mol
Monoisotopic mass: 260.07726208

Names & identifiers

Preferred name: Methyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
IUPAC: methyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
English name: 2-Trifluoromethyl-5,6,7,8-tetrahydro-[1,6]naphthyridine-3-carboxylic acid methyl ester
Molecular weight: 0

Names & synonyms

794461-82-8methyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-[1,6]NAPHTHYRIDINE-3-CARBOXYLIC ACID METHYL ESTERDTXSID20703809

Database identifiers

CAS: 794461-82-8
PubChem CID: 53471982
DTXSID: DTXSID20703809

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 322

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