3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid

C13H19ClN2O3 — CID 54986470

IUPAC3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
SMILESCOCCN(CC(C)C)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H19ClN2O3/c1-9(2)8-16(6-7-19-3)11-5-4-10(14)12(15-11)13(17)18/h4-5,9H,6-8H2,1-3H3,(H,17,18)
InChIKeyASVNNCIELXDQLP-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.54
Rot. Bonds7

About 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid

3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid (PubChem CID 54986470) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
PubChem CID54986470
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
SMILESCOCCN(CC(C)C)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H19ClN2O3/c1-9(2)8-16(6-7-19-3)11-5-4-10(14)12(15-11)13(17)18/h4-5,9H,6-8H2,1-3H3,(H,17,18)
InChIKeyASVNNCIELXDQLP-UHFFFAOYSA-N
XLogP2.54
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid (CID 54986470) is 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid is COCCN(CC(C)C)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ASVNNCIELXDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-9(2)8-16(6-7-19-3)11-5-4-10(14)12(15-11)13(17)18/h4-5,9H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid has a molecular weight of 286.76 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 54986470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).