2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid

C13H10F2N2O2 — CID 119005063

IUPAC2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
SMILESNc1nc(CC(=O)O)ccc1-c1cccc(F)c1F
InChIInChI=1S/C13H10F2N2O2/c14-10-3-1-2-8(12(10)15)9-5-4-7(6-11(18)19)17-13(9)16/h1-5H,6H2,(H2,16,17)(H,18,19)
InChIKeyQYWATKZSMOLTOS-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.24
Rot. Bonds3

About 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid

2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 119005063) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
PubChem CID119005063
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
SMILESNc1nc(CC(=O)O)ccc1-c1cccc(F)c1F
InChIInChI=1S/C13H10F2N2O2/c14-10-3-1-2-8(12(10)15)9-5-4-7(6-11(18)19)17-13(9)16/h1-5H,6H2,(H2,16,17)(H,18,19)
InChIKeyQYWATKZSMOLTOS-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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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid (CID 119005063) is 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid is Nc1nc(CC(=O)O)ccc1-c1cccc(F)c1F.
What is the InChIKey of 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is QYWATKZSMOLTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-3-1-2-8(12(10)15)9-5-4-7(6-11(18)19)17-13(9)16/h1-5H,6H2,(H2,16,17)(H,18,19).
What are the key properties of 2-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid?
2-[6-amino-5-(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-[6-amino-5-(2,3-difluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 119005063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).