6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid

C14H19NO3 — CID 106903256

IUPAC6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
SMILESCC1CCCCC1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C14H19NO3/c1-10-5-2-3-8-13(10)18-9-11-6-4-7-12(15-11)14(16)17/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyAPCCBZAUPCMCJM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.88
Rot. Bonds4

About 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid

6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid (PubChem CID 106903256) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
PubChem CID106903256
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
SMILESCC1CCCCC1OCc1cccc(C(=O)O)n1
InChIInChI=1S/C14H19NO3/c1-10-5-2-3-8-13(10)18-9-11-6-4-7-12(15-11)14(16)17/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyAPCCBZAUPCMCJM-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid (CID 106903256) is 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid is CC1CCCCC1OCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
The InChIKey is APCCBZAUPCMCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-2-3-8-13(10)18-9-11-6-4-7-12(15-11)14(16)17/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,16,17).
What are the key properties of 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).