6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C15H20N2O3 — CID 122054567

IUPAC6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(C3CCOCC3)C2)n1
InChIInChI=1S/C15H20N2O3/c18-15(19)13-2-1-3-14(16-13)17-7-4-12(10-17)11-5-8-20-9-6-11/h1-3,11-12H,4-10H2,(H,18,19)
InChIKeyPKCILELCRRCBPV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.03
Rot. Bonds3

About 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054567) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054567
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(C3CCOCC3)C2)n1
InChIInChI=1S/C15H20N2O3/c18-15(19)13-2-1-3-14(16-13)17-7-4-12(10-17)11-5-8-20-9-6-11/h1-3,11-12H,4-10H2,(H,18,19)
InChIKeyPKCILELCRRCBPV-UHFFFAOYSA-N
XLogP2.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122054567) is 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(C3CCOCC3)C2)n1.
What is the InChIKey of 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is PKCILELCRRCBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(19)13-2-1-3-14(16-13)17-7-4-12(10-17)11-5-8-20-9-6-11/h1-3,11-12H,4-10H2,(H,18,19).
What are the key properties of 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).