6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid

C13H18N2O4 — CID 122055732

IUPAC6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(CCO)C2CCOCC2)n1
InChIInChI=1S/C13H18N2O4/c16-7-6-15(10-4-8-19-9-5-10)12-3-1-2-11(14-12)13(17)18/h1-3,10,16H,4-9H2,(H,17,18)
InChIKeyHRHIQFSEWIRTJS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds5

About 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid

6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 122055732) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID122055732
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(CCO)C2CCOCC2)n1
InChIInChI=1S/C13H18N2O4/c16-7-6-15(10-4-8-19-9-5-10)12-3-1-2-11(14-12)13(17)18/h1-3,10,16H,4-9H2,(H,17,18)
InChIKeyHRHIQFSEWIRTJS-UHFFFAOYSA-N
XLogP0.76
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid (CID 122055732) is 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(N(CCO)C2CCOCC2)n1.
What is the InChIKey of 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is HRHIQFSEWIRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-7-6-15(10-4-8-19-9-5-10)12-3-1-2-11(14-12)13(17)18/h1-3,10,16H,4-9H2,(H,17,18).
What are the key properties of 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid?
6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122055732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).