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

C16H23NO2 — CID 81020663

IUPAC2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C(C)C)CCC2C(=O)O)cn1
InChIInChI=1S/C16H23NO2/c1-10(2)12-6-7-14(16(18)19)15(8-12)13-5-4-11(3)17-9-13/h4-5,9-10,12,14-15H,6-8H2,1-3H3,(H,18,19)
InChIKeyAIBQPMHKSMKXMZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.63
Rot. Bonds3

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

2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81020663) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81020663
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C(C)C)CCC2C(=O)O)cn1
InChIInChI=1S/C16H23NO2/c1-10(2)12-6-7-14(16(18)19)15(8-12)13-5-4-11(3)17-9-13/h4-5,9-10,12,14-15H,6-8H2,1-3H3,(H,18,19)
InChIKeyAIBQPMHKSMKXMZ-UHFFFAOYSA-N
XLogP3.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020389
2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81008761
4-tert-butyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020670
4-ethyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81021300
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020421
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid
CID 81013563
2-(3-methylthiophen-2-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020585
2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021403
2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
CID 140830560
2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020656
2-(3-bromo-2-fluorophenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 106646947

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81020663) is 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is Cc1ccc(C2CC(C(C)C)CCC2C(=O)O)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is AIBQPMHKSMKXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)12-6-7-14(16(18)19)15(8-12)13-5-4-11(3)17-9-13/h4-5,9-10,12,14-15H,6-8H2,1-3H3,(H,18,19).
What are the key properties of 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).