2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile

C16H9F3N2 — CID 164678069

IUPAC2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile
SMILESCc1ccc2nc(C(F)(F)F)c3cc(C#N)ccc3c2c1
InChIInChI=1S/C16H9F3N2/c1-9-2-5-14-12(6-9)11-4-3-10(8-20)7-13(11)15(21-14)16(17,18)19/h2-7H,1H3
InChIKeyHEDHVSBFGDEWFB-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.59
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile

2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile (PubChem CID 164678069) has the molecular formula C16H9F3N2 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile
PubChem CID164678069
Molecular FormulaC16H9F3N2
Molecular Weight286.26 g/mol
Exact Mass286.07
IUPAC Name2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile
SMILESCc1ccc2nc(C(F)(F)F)c3cc(C#N)ccc3c2c1
InChIInChI=1S/C16H9F3N2/c1-9-2-5-14-12(6-9)11-4-3-10(8-20)7-13(11)15(21-14)16(17,18)19/h2-7H,1H3
InChIKeyHEDHVSBFGDEWFB-UHFFFAOYSA-N
XLogP4.59
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.59
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

6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
CID 102237067
2,4-bis(trifluoromethyl)quinoline-6-carbonitrile
CID 164666836
8-methyldibenzofuran-2-carbonitrile
CID 118232593
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
2-(trifluoromethyl)-1,3-benzothiazole-6-carbonitrile
CID 91882986
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
3,4-dimethylbenzonitrile;ethane;4-methyl-2-(trifluoromethyl)benzonitrile
CID 143594388
6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)quinazolin-2-amine
CID 171779519
6-bis[4-(trifluoromethyl)phenyl]phosphoryl-2,8-dimethylphenanthridine
CID 134850227
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
6-(trifluoromethyl)phenanthrene-3-carbonitrile
CID 623245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile?
The IUPAC name of 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile (CID 164678069) is 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile is Cc1ccc2nc(C(F)(F)F)c3cc(C#N)ccc3c2c1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile?
The InChIKey is HEDHVSBFGDEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2/c1-9-2-5-14-12(6-9)11-4-3-10(8-20)7-13(11)15(21-14)16(17,18)19/h2-7H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile?
2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile has a molecular weight of 286.26 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile is sourced from PubChem (CID 164678069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).