4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

C16H15F3N2 — CID 175753798

IUPAC4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CN(c2cncc(C(F)(F)F)c2)Cc2ccccc21
InChIInChI=1S/C16H15F3N2/c1-11-9-21(10-12-4-2-3-5-15(11)12)14-6-13(7-20-8-14)16(17,18)19/h2-8,11H,9-10H2,1H3
InChIKeyHVINNHPPCLFTEC-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.22
Rot. Bonds1

About 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 175753798) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID175753798
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCC1CN(c2cncc(C(F)(F)F)c2)Cc2ccccc21
InChIInChI=1S/C16H15F3N2/c1-11-9-21(10-12-4-2-3-5-15(11)12)14-6-13(7-20-8-14)16(17,18)19/h2-8,11H,9-10H2,1H3
InChIKeyHVINNHPPCLFTEC-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 175753798) is 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is CC1CN(c2cncc(C(F)(F)F)c2)Cc2ccccc21.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is HVINNHPPCLFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-11-9-21(10-12-4-2-3-5-15(11)12)14-6-13(7-20-8-14)16(17,18)19/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 292.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175753798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).