6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C15H14FNO2 — CID 43180336

IUPAC6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCc2nc3cc(F)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C15H14FNO2/c1-8-2-5-12-11(6-8)14(15(18)19)10-4-3-9(16)7-13(10)17-12/h3-4,7-8H,2,5-6H2,1H3,(H,18,19)
InChIKeyLYKHRJWNCTVWKG-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.20
Rot. Bonds1

About 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 43180336) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID43180336
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCc2nc3cc(F)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C15H14FNO2/c1-8-2-5-12-11(6-8)14(15(18)19)10-4-3-9(16)7-13(10)17-12/h3-4,7-8H,2,5-6H2,1H3,(H,18,19)
InChIKeyLYKHRJWNCTVWKG-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462975
(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 865217
5,7-dibromo-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462327
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 865221
2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63463636
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 5004878
(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667295
9-fluoro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
CID 62842113

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 43180336) is 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1CCc2nc3cc(F)ccc3c(C(=O)O)c2C1.
What is the InChIKey of 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is LYKHRJWNCTVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-8-2-5-12-11(6-8)14(15(18)19)10-4-3-9(16)7-13(10)17-12/h3-4,7-8H,2,5-6H2,1H3,(H,18,19).
What are the key properties of 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 43180336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).