6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid

C21H24FNO2 — CID 21471334

IUPAC6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C21H24FNO2/c1-13(2)20-19(21(24)25)17(14-8-10-16(22)11-9-14)12-18(23-20)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,24,25)
InChIKeyPMFZDXOKNQLQGT-UHFFFAOYSA-N
MW341.43 g/mol
LogP5.76
Rot. Bonds4

About 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid

6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 21471334) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID21471334
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C21H24FNO2/c1-13(2)20-19(21(24)25)17(14-8-10-16(22)11-9-14)12-18(23-20)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,24,25)
InChIKeyPMFZDXOKNQLQGT-UHFFFAOYSA-N
XLogP5.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-fluorophenyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-5-carboxylic acid
CID 67735688
1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
CID 110091965
6-(4-fluorophenyl)-4-propan-2-yl-3,15-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carboxylic acid
CID 58992756
2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid
CID 3872421
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid
CID 175549709
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone
CID 86263894
7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 54239291
3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117465772
2-[3-(aminomethyl)-4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]benzoic acid
CID 58992900
2-carboxy-4-cyclopropyl-5-(4-fluorophenyl)phenolate
CID 131746407
5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane
CID 176565681

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid (CID 21471334) is 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is PMFZDXOKNQLQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-13(2)20-19(21(24)25)17(14-8-10-16(22)11-9-14)12-18(23-20)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,24,25).
What are the key properties of 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid?
6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 21471334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).