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

C8H7F3N2O2 — CID 134671249

IUPAC2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
SMILESNc1cc(F)c(CC(=O)O)nc1C(F)F
InChIInChI=1S/C8H7F3N2O2/c9-3-1-4(12)7(8(10)11)13-5(3)2-6(14)15/h1,8H,2,12H2,(H,14,15)
InChIKeyUYRMOZGHTDPEHQ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.37
Rot. Bonds3

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

2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid (PubChem CID 134671249) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
PubChem CID134671249
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
SMILESNc1cc(F)c(CC(=O)O)nc1C(F)F
InChIInChI=1S/C8H7F3N2O2/c9-3-1-4(12)7(8(10)11)13-5(3)2-6(14)15/h1,8H,2,12H2,(H,14,15)
InChIKeyUYRMOZGHTDPEHQ-UHFFFAOYSA-N
XLogP1.37
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
2-[6-(difluoromethyl)-5-fluoro-3-nitro-2-pyridinyl]acetic acid
CID 118803536
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134683603

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid (CID 134671249) is 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid is Nc1cc(F)c(CC(=O)O)nc1C(F)F.
What is the InChIKey of 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid?
The InChIKey is UYRMOZGHTDPEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-3-1-4(12)7(8(10)11)13-5(3)2-6(14)15/h1,8H,2,12H2,(H,14,15).
What are the key properties of 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid?
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid has a molecular weight of 220.15 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid is sourced from PubChem (CID 134671249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).