2-chloro-9-methyl-6-(trifluoromethyl)acridine

C15H9ClF3N — CID 146170270

IUPAC2-chloro-9-methyl-6-(trifluoromethyl)acridine
SMILESCc1c2ccc(C(F)(F)F)cc2nc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClF3N/c1-8-11-4-2-9(15(17,18)19)6-14(11)20-13-5-3-10(16)7-12(8)13/h2-7H,1H3
InChIKeyXPRUSYVFAGWBAW-UHFFFAOYSA-N
MW295.69 g/mol
LogP5.37
Rot. Bonds

About 2-chloro-9-methyl-6-(trifluoromethyl)acridine

2-chloro-9-methyl-6-(trifluoromethyl)acridine (PubChem CID 146170270) has the molecular formula C15H9ClF3N and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-9-methyl-6-(trifluoromethyl)acridine.

Molecular Properties

Compound Name2-chloro-9-methyl-6-(trifluoromethyl)acridine
PubChem CID146170270
Molecular FormulaC15H9ClF3N
Molecular Weight295.69 g/mol
Exact Mass295.04
IUPAC Name2-chloro-9-methyl-6-(trifluoromethyl)acridine
SMILESCc1c2ccc(C(F)(F)F)cc2nc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClF3N/c1-8-11-4-2-9(15(17,18)19)6-14(11)20-13-5-3-10(16)7-12(8)13/h2-7H,1H3
InChIKeyXPRUSYVFAGWBAW-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.69
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-chloro-9-methyl-6-(trifluoromethyl)acridine with MolForge

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

Launch Full Analysis

Related Compounds

[5-chloro-2-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-phenylmethanone
CID 23477016
9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride
CID 154246246
6-chloro-4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylquinoline
CID 3850731
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
3,6-dichloro-2-methylquinolin-4-amine
CID 121236621
4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353
O-ethyl 6-chloro-4-(trifluoromethyl)quinoline-2-carboselenoate
CID 168966852
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
[2-ethylsulfanyl-4-methyl-7-(trifluoromethyl)quinolin-3-yl] formate
CID 91589618
16-methyl-6,27-bis(trifluoromethyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene
CID 126608669
6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981065
3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
CID 97181858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methyl-6-(trifluoromethyl)acridine?
The IUPAC name of 2-chloro-9-methyl-6-(trifluoromethyl)acridine (CID 146170270) is 2-chloro-9-methyl-6-(trifluoromethyl)acridine.
What is the SMILES notation for 2-chloro-9-methyl-6-(trifluoromethyl)acridine?
The canonical SMILES for 2-chloro-9-methyl-6-(trifluoromethyl)acridine is Cc1c2ccc(C(F)(F)F)cc2nc2ccc(Cl)cc12.
What is the InChIKey of 2-chloro-9-methyl-6-(trifluoromethyl)acridine?
The InChIKey is XPRUSYVFAGWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N/c1-8-11-4-2-9(15(17,18)19)6-14(11)20-13-5-3-10(16)7-12(8)13/h2-7H,1H3.
What are the key properties of 2-chloro-9-methyl-6-(trifluoromethyl)acridine?
2-chloro-9-methyl-6-(trifluoromethyl)acridine has a molecular weight of 295.69 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-6-(trifluoromethyl)acridine is sourced from PubChem (CID 146170270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).