3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid

C10H10F2N2O3 — CID 175736079

IUPAC3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)(Cc2ccc(F)nc2F)C1
InChIInChI=1S/C10H10F2N2O3/c11-7-2-1-6(8(12)13-7)3-10(17)4-14(5-10)9(15)16/h1-2,17H,3-5H2,(H,15,16)
InChIKeyPCPBALGUFHLXKC-UHFFFAOYSA-N
MW244.20 g/mol
LogP0.63
Rot. Bonds2

About 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid

3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid (PubChem CID 175736079) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid
PubChem CID175736079
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)(Cc2ccc(F)nc2F)C1
InChIInChI=1S/C10H10F2N2O3/c11-7-2-1-6(8(12)13-7)3-10(17)4-14(5-10)9(15)16/h1-2,17H,3-5H2,(H,15,16)
InChIKeyPCPBALGUFHLXKC-UHFFFAOYSA-N
XLogP0.63
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid?
The IUPAC name of 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid (CID 175736079) is 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid is O=C(O)N1CC(O)(Cc2ccc(F)nc2F)C1.
What is the InChIKey of 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid?
The InChIKey is PCPBALGUFHLXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-7-2-1-6(8(12)13-7)3-10(17)4-14(5-10)9(15)16/h1-2,17H,3-5H2,(H,15,16).
What are the key properties of 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid?
3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid has a molecular weight of 244.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoro-3-pyridinyl)methyl]-3-hydroxyazetidine-1-carboxylic acid is sourced from PubChem (CID 175736079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).