2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid

C9H6F5NO3 — CID 118809162

IUPAC2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)cnc(C(F)F)c1O
InChIInChI=1S/C9H6F5NO3/c10-8(11)6-7(18)3(1-5(16)17)4(2-15-6)9(12,13)14/h2,8,18H,1H2,(H,16,17)
InChIKeyYIHWCJYITAFDGR-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid

2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 118809162) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID118809162
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)cnc(C(F)F)c1O
InChIInChI=1S/C9H6F5NO3/c10-8(11)6-7(18)3(1-5(16)17)4(2-15-6)9(12,13)14/h2,8,18H,1H2,(H,16,17)
InChIKeyYIHWCJYITAFDGR-UHFFFAOYSA-N
XLogP2.37
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 118809162) is 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1c(C(F)(F)F)cnc(C(F)F)c1O.
What is the InChIKey of 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is YIHWCJYITAFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c10-8(11)6-7(18)3(1-5(16)17)4(2-15-6)9(12,13)14/h2,8,18H,1H2,(H,16,17).
What are the key properties of 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 271.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118809162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).