6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid

C14H19NO3 — CID 114340733

IUPAC6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid
SMILESCC1(C)CCC(Oc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H19NO3/c1-14(2)8-6-10(7-9-14)18-12-5-3-4-11(15-12)13(16)17/h3-5,10H,6-9H2,1-2H3,(H,16,17)
InChIKeyKMSNBSRXTUBIJP-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.13
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid

6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid (PubChem CID 114340733) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid
PubChem CID114340733
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid
SMILESCC1(C)CCC(Oc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H19NO3/c1-14(2)8-6-10(7-9-14)18-12-5-3-4-11(15-12)13(16)17/h3-5,10H,6-9H2,1-2H3,(H,16,17)
InChIKeyKMSNBSRXTUBIJP-UHFFFAOYSA-N
XLogP3.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
5-(4,4-dimethylcyclohexyl)oxyfuran-2-carboxylic acid
CID 114340758
N-[[6-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114342313
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid
CID 164660754
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
CID 114341231
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridine-2-carboxylic acid
CID 58477293
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid (CID 114340733) is 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid is CC1(C)CCC(Oc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid?
The InChIKey is KMSNBSRXTUBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)8-6-10(7-9-14)18-12-5-3-4-11(15-12)13(16)17/h3-5,10H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid?
6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 114340733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).