3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid

C14H19NO4 — CID 79156287

IUPAC3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OC2CCCCCC2O)c(C(=O)O)n1
InChIInChI=1S/C14H19NO4/c1-9-7-8-12(13(15-9)14(17)18)19-11-6-4-2-3-5-10(11)16/h7-8,10-11,16H,2-6H2,1H3,(H,17,18)
InChIKeyCLYCASUYGINFIO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid

3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid (PubChem CID 79156287) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid
PubChem CID79156287
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OC2CCCCCC2O)c(C(=O)O)n1
InChIInChI=1S/C14H19NO4/c1-9-7-8-12(13(15-9)14(17)18)19-11-6-4-2-3-5-10(11)16/h7-8,10-11,16H,2-6H2,1H3,(H,17,18)
InChIKeyCLYCASUYGINFIO-UHFFFAOYSA-N
XLogP2.16
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid (CID 79156287) is 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid is Cc1ccc(OC2CCCCCC2O)c(C(=O)O)n1.
What is the InChIKey of 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid?
The InChIKey is CLYCASUYGINFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-8-12(13(15-9)14(17)18)19-11-6-4-2-3-5-10(11)16/h7-8,10-11,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid?
3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycycloheptyl)oxy-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79156287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).