3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid

C13H17ClN2O3 — CID 63707725

IUPAC3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCN(CC1CCCOC1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H17ClN2O3/c1-16(7-9-3-2-6-19-8-9)11-5-4-10(14)12(15-11)13(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyCCOVWXMGWJVSHC-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.30
Rot. Bonds4

About 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid

3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid (PubChem CID 63707725) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
PubChem CID63707725
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCN(CC1CCCOC1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H17ClN2O3/c1-16(7-9-3-2-6-19-8-9)11-5-4-10(14)12(15-11)13(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyCCOVWXMGWJVSHC-UHFFFAOYSA-N
XLogP2.30
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid (CID 63707725) is 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid is CN(CC1CCCOC1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is CCOVWXMGWJVSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16(7-9-3-2-6-19-8-9)11-5-4-10(14)12(15-11)13(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63707725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).