6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid

C9H8F2N2O2 — CID 121200824

IUPAC6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC(F)(F)C2)nc1
InChIInChI=1S/C9H8F2N2O2/c10-9(11)4-13(5-9)7-2-1-6(3-12-7)8(14)15/h1-3H,4-5H2,(H,14,15)
InChIKeyCTDJQTYBRFQXEI-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.24
Rot. Bonds2

About 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid

6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 121200824) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
PubChem CID121200824
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC(F)(F)C2)nc1
InChIInChI=1S/C9H8F2N2O2/c10-9(11)4-13(5-9)7-2-1-6(3-12-7)8(14)15/h1-3H,4-5H2,(H,14,15)
InChIKeyCTDJQTYBRFQXEI-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593037
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121427679
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid (CID 121200824) is 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CC(F)(F)C2)nc1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is CTDJQTYBRFQXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c10-9(11)4-13(5-9)7-2-1-6(3-12-7)8(14)15/h1-3H,4-5H2,(H,14,15).
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid?
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 214.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121200824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).