6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid

C17H23F2NO2 — CID 169248978

IUPAC6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C2CCC(F)(F)CC2)nc1C(C)(C)C
InChIInChI=1S/C17H23F2NO2/c1-10-9-12(15(21)22)13(20-14(10)16(2,3)4)11-5-7-17(18,19)8-6-11/h9,11H,5-8H2,1-4H3,(H,21,22)
InChIKeyOIGVMEFFGBUOHN-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.68
Rot. Bonds2

About 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid

6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid (PubChem CID 169248978) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid
PubChem CID169248978
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C2CCC(F)(F)CC2)nc1C(C)(C)C
InChIInChI=1S/C17H23F2NO2/c1-10-9-12(15(21)22)13(20-14(10)16(2,3)4)11-5-7-17(18,19)8-6-11/h9,11H,5-8H2,1-4H3,(H,21,22)
InChIKeyOIGVMEFFGBUOHN-UHFFFAOYSA-N
XLogP4.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid (CID 169248978) is 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(C2CCC(F)(F)CC2)nc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is OIGVMEFFGBUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-10-9-12(15(21)22)13(20-14(10)16(2,3)4)11-5-7-17(18,19)8-6-11/h9,11H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid?
6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 311.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 169248978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).