6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine

C19H11F3N2 — CID 134843231

IUPAC6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine
SMILESFC(F)(F)c1ccc(-c2nc3ccccc3c3ccccc23)nc1
InChIInChI=1S/C19H11F3N2/c20-19(21,22)12-9-10-17(23-11-12)18-15-7-2-1-5-13(15)14-6-3-4-8-16(14)24-18/h1-11H
InChIKeyISQNTMRNFOXRLK-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.47
Rot. Bonds1

About 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine

6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine (PubChem CID 134843231) has the molecular formula C19H11F3N2 and a molecular weight of 324.31 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine.

Molecular Properties

Compound Name6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine
PubChem CID134843231
Molecular FormulaC19H11F3N2
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine
SMILESFC(F)(F)c1ccc(-c2nc3ccccc3c3ccccc23)nc1
InChIInChI=1S/C19H11F3N2/c20-19(21,22)12-9-10-17(23-11-12)18-15-7-2-1-5-13(15)14-6-3-4-8-16(14)24-18/h1-11H
InChIKeyISQNTMRNFOXRLK-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Quinoline
CID 7047
1,10-Phenanthroline
CID 1318
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,7-Phenanthroline
CID 67473
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265

Frequently Asked Questions

What is the IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine?
The IUPAC name of 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine (CID 134843231) is 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine.
What is the SMILES notation for 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine?
The canonical SMILES for 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine is FC(F)(F)c1ccc(-c2nc3ccccc3c3ccccc23)nc1.
What is the InChIKey of 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine?
The InChIKey is ISQNTMRNFOXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2/c20-19(21,22)12-9-10-17(23-11-12)18-15-7-2-1-5-13(15)14-6-3-4-8-16(14)24-18/h1-11H.
What are the key properties of 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine?
6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine has a molecular weight of 324.31 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(trifluoromethyl)-2-pyridinyl]phenanthridine is sourced from PubChem (CID 134843231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).