2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid

C10H11FN2O2 — CID 140830590

IUPAC2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc(F)nc2)C1
InChIInChI=1S/C10H11FN2O2/c11-9-2-1-8(4-12-9)13-5-7(6-13)3-10(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyQQSPVALSZYJYAF-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.13
Rot. Bonds3

About 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid

2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid (PubChem CID 140830590) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid
PubChem CID140830590
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc(F)nc2)C1
InChIInChI=1S/C10H11FN2O2/c11-9-2-1-8(4-12-9)13-5-7(6-13)3-10(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyQQSPVALSZYJYAF-UHFFFAOYSA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66854552
2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
CID 113320477
3-(6-fluoro-3-pyridinyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 68700246
2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid
CID 171808816
2-[1-(6-nitro-3-pyridinyl)piperidin-4-yl]acetic acid
CID 79608617
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol
CID 170040454
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid (CID 140830590) is 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2ccc(F)nc2)C1.
What is the InChIKey of 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid?
The InChIKey is QQSPVALSZYJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-9-2-1-8(4-12-9)13-5-7(6-13)3-10(14)15/h1-2,4,7H,3,5-6H2,(H,14,15).
What are the key properties of 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid?
2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid has a molecular weight of 210.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 140830590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).