5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C14H20ClN3O2 — CID 63537204

IUPAC5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCCN(CC)C1CCN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C14H20ClN3O2/c1-3-17(4-2)11-5-6-18(9-11)13-12(15)7-10(8-16-13)14(19)20/h7-8,11H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyVZERDAYNIMKTGA-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.35
Rot. Bonds5

About 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 63537204) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID63537204
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCCN(CC)C1CCN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C14H20ClN3O2/c1-3-17(4-2)11-5-6-18(9-11)13-12(15)7-10(8-16-13)14(19)20/h7-8,11H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyVZERDAYNIMKTGA-UHFFFAOYSA-N
XLogP2.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 63537204) is 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid is CCN(CC)C1CCN(c2ncc(C(=O)O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is VZERDAYNIMKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-17(4-2)11-5-6-18(9-11)13-12(15)7-10(8-16-13)14(19)20/h7-8,11H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63537204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).