2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid

C8H8F2N2O2 — CID 118834821

IUPAC2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESNc1cc(C(F)F)ncc1CC(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)6-2-5(11)4(3-12-6)1-7(13)14/h2-3,8H,1H2,(H2,11,12)(H,13,14)
InChIKeyHZUYPUUWACVUST-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.23
Rot. Bonds3

About 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid

2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118834821) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118834821
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESNc1cc(C(F)F)ncc1CC(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)6-2-5(11)4(3-12-6)1-7(13)14/h2-3,8H,1H2,(H2,11,12)(H,13,14)
InChIKeyHZUYPUUWACVUST-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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Related Compounds

2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130095692
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107709
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
2-(difluoromethyl)-5-ethyl-4-methylpyridine
CID 176699020
2-(difluoromethyl)-5-ethyl-4-fluoropyridine
CID 176699553
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672940

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid (CID 118834821) is 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid is Nc1cc(C(F)F)ncc1CC(=O)O.
What is the InChIKey of 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is HZUYPUUWACVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)6-2-5(11)4(3-12-6)1-7(13)14/h2-3,8H,1H2,(H2,11,12)(H,13,14).
What are the key properties of 2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-amino-6-(difluoromethyl)-3-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-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118834821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).