2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

C8H8F2N2O3 — CID 133093449

IUPAC2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESNc1cc(O)c(C(F)F)nc1CC(=O)O
InChIInChI=1S/C8H8F2N2O3/c9-8(10)7-5(13)1-3(11)4(12-7)2-6(14)15/h1,8,13H,2,11H2,(H,14,15)
InChIKeyFCHLHZHNFVSGEF-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.93
Rot. Bonds3

About 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (PubChem CID 133093449) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
PubChem CID133093449
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESNc1cc(O)c(C(F)F)nc1CC(=O)O
InChIInChI=1S/C8H8F2N2O3/c9-8(10)7-5(13)1-3(11)4(12-7)2-6(14)15/h1,8,13H,2,11H2,(H,14,15)
InChIKeyFCHLHZHNFVSGEF-UHFFFAOYSA-N
XLogP0.93
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
CID 130101693
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
CID 133102888
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (CID 133093449) is 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is Nc1cc(O)c(C(F)F)nc1CC(=O)O.
What is the InChIKey of 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is FCHLHZHNFVSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c9-8(10)7-5(13)1-3(11)4(12-7)2-6(14)15/h1,8,13H,2,11H2,(H,14,15).
What are the key properties of 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid has a molecular weight of 218.16 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 133093449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).