5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid

C13H18N2O3 — CID 102632504

IUPAC5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
SMILESCN(c1ccc(C(=O)O)nc1)C1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-15(11-4-2-3-5-12(11)16)9-6-7-10(13(17)18)14-8-9/h6-8,11-12,16H,2-5H2,1H3,(H,17,18)
InChIKeyBBSYYAXGYNDAAC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds3

About 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid

5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid (PubChem CID 102632504) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
PubChem CID102632504
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
SMILESCN(c1ccc(C(=O)O)nc1)C1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-15(11-4-2-3-5-12(11)16)9-6-7-10(13(17)18)14-8-9/h6-8,11-12,16H,2-5H2,1H3,(H,17,18)
InChIKeyBBSYYAXGYNDAAC-UHFFFAOYSA-N
XLogP1.52
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid (CID 102632504) is 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid is CN(c1ccc(C(=O)O)nc1)C1CCCCC1O.
What is the InChIKey of 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid?
The InChIKey is BBSYYAXGYNDAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(11-4-2-3-5-12(11)16)9-6-7-10(13(17)18)14-8-9/h6-8,11-12,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid?
5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 102632504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).