3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid

C12H17ClN2O2 — CID 43571486

IUPAC3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
SMILESCCC(CC)N(C)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H17ClN2O2/c1-4-8(5-2)15(3)10-7-6-9(13)11(14-10)12(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyHRUOUBKPZYFMAA-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.06
Rot. Bonds5

About 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid

3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid (PubChem CID 43571486) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
PubChem CID43571486
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
SMILESCCC(CC)N(C)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H17ClN2O2/c1-4-8(5-2)15(3)10-7-6-9(13)11(14-10)12(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyHRUOUBKPZYFMAA-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid (CID 43571486) is 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid is CCC(CC)N(C)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is HRUOUBKPZYFMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-8(5-2)15(3)10-7-6-9(13)11(14-10)12(16)17/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 43571486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).