2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid

C10H7F6NO4 — CID 134669973

IUPAC2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESCOc1cc(OC(F)(F)F)c(C(F)(F)F)c(CC(=O)O)n1
InChIInChI=1S/C10H7F6NO4/c1-20-6-3-5(21-10(14,15)16)8(9(11,12)13)4(17-6)2-7(18)19/h3H,2H2,1H3,(H,18,19)
InChIKeyVWFCISKQSOORNY-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.63
Rot. Bonds4

About 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134669973) has the molecular formula C10H7F6NO4 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134669973
Molecular FormulaC10H7F6NO4
Molecular Weight319.16 g/mol
Exact Mass319.03
IUPAC Name2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESCOc1cc(OC(F)(F)F)c(C(F)(F)F)c(CC(=O)O)n1
InChIInChI=1S/C10H7F6NO4/c1-20-6-3-5(21-10(14,15)16)8(9(11,12)13)4(17-6)2-7(18)19/h3H,2H2,1H3,(H,18,19)
InChIKeyVWFCISKQSOORNY-UHFFFAOYSA-N
XLogP2.63
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679267
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134676940
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134669973) is 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid is COc1cc(OC(F)(F)F)c(C(F)(F)F)c(CC(=O)O)n1.
What is the InChIKey of 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is VWFCISKQSOORNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO4/c1-20-6-3-5(21-10(14,15)16)8(9(11,12)13)4(17-6)2-7(18)19/h3H,2H2,1H3,(H,18,19).
What are the key properties of 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 319.16 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134669973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).