2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid

C9H10N2O2 — CID 55275995

IUPAC2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1[C@@H]1CCN1
InChIInChI=1S/C9H10N2O2/c12-9(13)6-2-1-4-11-8(6)7-3-5-10-7/h1-2,4,7,10H,3,5H2,(H,12,13)/t7-/m0/s1
InChIKeyJDZGKTAKTBCMPQ-ZETCQYMHSA-N
MW178.19 g/mol
LogP0.81
Rot. Bonds2

About 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid

2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid (PubChem CID 55275995) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
PubChem CID55275995
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1[C@@H]1CCN1
InChIInChI=1S/C9H10N2O2/c12-9(13)6-2-1-4-11-8(6)7-3-5-10-7/h1-2,4,7,10H,3,5H2,(H,12,13)/t7-/m0/s1
InChIKeyJDZGKTAKTBCMPQ-ZETCQYMHSA-N
XLogP0.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid (CID 55275995) is 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1[C@@H]1CCN1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is JDZGKTAKTBCMPQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13)6-2-1-4-11-8(6)7-3-5-10-7/h1-2,4,7,10H,3,5H2,(H,12,13)/t7-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid?
2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).