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

C8H8F2N2O2 — CID 130094889

IUPAC2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1c(C(F)F)ccnc1CC(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)4-1-2-12-5(7(4)11)3-6(13)14/h1-2,8H,3,11H2,(H,13,14)
InChIKeyBWGAISJISYOYQT-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.23
Rot. Bonds3

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

2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130094889) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130094889
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1c(C(F)F)ccnc1CC(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)4-1-2-12-5(7(4)11)3-6(13)14/h1-2,8H,3,11H2,(H,13,14)
InChIKeyBWGAISJISYOYQT-UHFFFAOYSA-N
XLogP1.23
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130094889) is 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid is Nc1c(C(F)F)ccnc1CC(=O)O.
What is the InChIKey of 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is BWGAISJISYOYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)4-1-2-12-5(7(4)11)3-6(13)14/h1-2,8H,3,11H2,(H,13,14).
What are the key properties of 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 202.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130094889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).