2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid

C13H10F2N2O2 — CID 133086696

IUPAC2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
SMILESNc1ccc(-c2cccc(F)c2F)nc1CC(=O)O
InChIInChI=1S/C13H10F2N2O2/c14-8-3-1-2-7(13(8)15)10-5-4-9(16)11(17-10)6-12(18)19/h1-5H,6,16H2,(H,18,19)
InChIKeyALLZJABECQJIBK-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.24
Rot. Bonds3

About 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid

2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133086696) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
PubChem CID133086696
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
SMILESNc1ccc(-c2cccc(F)c2F)nc1CC(=O)O
InChIInChI=1S/C13H10F2N2O2/c14-8-3-1-2-7(13(8)15)10-5-4-9(16)11(17-10)6-12(18)19/h1-5H,6,16H2,(H,18,19)
InChIKeyALLZJABECQJIBK-UHFFFAOYSA-N
XLogP2.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
[2,6-bis(2,3-difluorophenyl)-3-pyridinyl]methanol
CID 133093712
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118836266
2-[6-(2,3-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 103695141
2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133088994
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
CID 105476978
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid (CID 133086696) is 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid is Nc1ccc(-c2cccc(F)c2F)nc1CC(=O)O.
What is the InChIKey of 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is ALLZJABECQJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-8-3-1-2-7(13(8)15)10-5-4-9(16)11(17-10)6-12(18)19/h1-5H,6,16H2,(H,18,19).
What are the key properties of 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 264.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133086696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).