3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid

C13H19ClN2O2 — CID 79470761

IUPAC3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCCC(C)CN(CC)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H19ClN2O2/c1-4-9(3)8-16(5-2)11-7-6-10(14)12(15-11)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyITTCFWCFFTXBTD-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.31
Rot. Bonds6

About 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid

3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid (PubChem CID 79470761) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
PubChem CID79470761
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCCC(C)CN(CC)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H19ClN2O2/c1-4-9(3)8-16(5-2)11-7-6-10(14)12(15-11)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyITTCFWCFFTXBTD-UHFFFAOYSA-N
XLogP3.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid (CID 79470761) is 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid is CCC(C)CN(CC)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ITTCFWCFFTXBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-9(3)8-16(5-2)11-7-6-10(14)12(15-11)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 270.76 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 79470761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).