2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid

C10H8F5NO3 — CID 118837693

IUPAC2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESCOc1cc(CC(=O)O)nc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C10H8F5NO3/c1-19-5-2-4(3-6(17)18)16-8(9(11)12)7(5)10(13,14)15/h2,9H,3H2,1H3,(H,17,18)
InChIKeyJBGGROCMDKDGLI-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.67
Rot. Bonds4

About 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118837693) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118837693
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Name2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESCOc1cc(CC(=O)O)nc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C10H8F5NO3/c1-19-5-2-4(3-6(17)18)16-8(9(11)12)7(5)10(13,14)15/h2,9H,3H2,1H3,(H,17,18)
InChIKeyJBGGROCMDKDGLI-UHFFFAOYSA-N
XLogP2.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118820536
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511
2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480
2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680885
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
CID 39234576
2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119018182
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 118837693) is 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid is COc1cc(CC(=O)O)nc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is JBGGROCMDKDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-19-5-2-4(3-6(17)18)16-8(9(11)12)7(5)10(13,14)15/h2,9H,3H2,1H3,(H,17,18).
What are the key properties of 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 285.17 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118837693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).