2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid

C13H11FN2O2 — CID 46314255

IUPAC2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
SMILESNc1cc(-c2ccc(F)cc2)cnc1CC(=O)O
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-8(2-4-10)9-5-11(15)12(16-7-9)6-13(17)18/h1-5,7H,6,15H2,(H,17,18)
InChIKeyYSBJSGZWLHVZDC-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.10
Rot. Bonds3

About 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid

2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 46314255) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID46314255
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
SMILESNc1cc(-c2ccc(F)cc2)cnc1CC(=O)O
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-8(2-4-10)9-5-11(15)12(16-7-9)6-13(17)18/h1-5,7H,6,15H2,(H,17,18)
InChIKeyYSBJSGZWLHVZDC-UHFFFAOYSA-N
XLogP2.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]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-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087087
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetic acid
CID 6619507
CID 6330703
CID 6330703
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 59634166
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid (CID 46314255) is 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid is Nc1cc(-c2ccc(F)cc2)cnc1CC(=O)O.
What is the InChIKey of 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is YSBJSGZWLHVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-3-1-8(2-4-10)9-5-11(15)12(16-7-9)6-13(17)18/h1-5,7H,6,15H2,(H,17,18).
What are the key properties of 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid?
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 246.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).