4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid

C14H19NO2 — CID 81020389

IUPAC4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C)CCC2C(=O)O)cn1
InChIInChI=1S/C14H19NO2/c1-9-3-6-12(14(16)17)13(7-9)11-5-4-10(2)15-8-11/h4-5,8-9,12-13H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyHBWBETMTRNNWAY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.99
Rot. Bonds2

About 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid

4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid (PubChem CID 81020389) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
PubChem CID81020389
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C)CCC2C(=O)O)cn1
InChIInChI=1S/C14H19NO2/c1-9-3-6-12(14(16)17)13(7-9)11-5-4-10(2)15-8-11/h4-5,8-9,12-13H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyHBWBETMTRNNWAY-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid (CID 81020389) is 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid is Cc1ccc(C2CC(C)CCC2C(=O)O)cn1.
What is the InChIKey of 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The InChIKey is HBWBETMTRNNWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-3-6-12(14(16)17)13(7-9)11-5-4-10(2)15-8-11/h4-5,8-9,12-13H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).