10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine

C20H17BrN2 — CID 134194197

IUPAC10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(Br)n2)c2ccccc21
InChIInChI=1S/C20H17BrN2/c1-20(2)14-8-3-5-10-16(14)23(17-11-6-4-9-15(17)20)19-13-7-12-18(21)22-19/h3-13H,1-2H3
InChIKeyJAOFQKPTBAWKKG-UHFFFAOYSA-N
MW365.27 g/mol
LogP5.95
Rot. Bonds1

About 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine

10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine (PubChem CID 134194197) has the molecular formula C20H17BrN2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine.

Molecular Properties

Compound Name10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
PubChem CID134194197
Molecular FormulaC20H17BrN2
Molecular Weight365.27 g/mol
Exact Mass364.06
IUPAC Name10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(Br)n2)c2ccccc21
InChIInChI=1S/C20H17BrN2/c1-20(2)14-8-3-5-10-16(14)23(17-11-6-4-9-15(17)20)19-13-7-12-18(21)22-19/h3-13H,1-2H3
InChIKeyJAOFQKPTBAWKKG-UHFFFAOYSA-N
XLogP5.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
1-(6-bromo-2-pyridinyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 43520700
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
CID 118472939
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200
8-(4-bromophenyl)-14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 141487982
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
9,9,10-trimethylacridine
CID 610451
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640

Frequently Asked Questions

What is the IUPAC name of 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine?
The IUPAC name of 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine (CID 134194197) is 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine.
What is the SMILES notation for 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine?
The canonical SMILES for 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cccc(Br)n2)c2ccccc21.
What is the InChIKey of 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine?
The InChIKey is JAOFQKPTBAWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2/c1-20(2)14-8-3-5-10-16(14)23(17-11-6-4-9-15(17)20)19-13-7-12-18(21)22-19/h3-13H,1-2H3.
What are the key properties of 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine?
10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine has a molecular weight of 365.27 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine is sourced from PubChem (CID 134194197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).