6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid

C9H5F6NO4 — CID 134676940

IUPAC6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1cc(OC(F)(F)F)c(C(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H5F6NO4/c1-19-4-2-3(20-9(13,14)15)5(8(10,11)12)6(16-4)7(17)18/h2H,1H3,(H,17,18)
InChIKeyPFDVOVKBOJQARN-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.71
Rot. Bonds3

About 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid

6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 134676940) has the molecular formula C9H5F6NO4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID134676940
Molecular FormulaC9H5F6NO4
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1cc(OC(F)(F)F)c(C(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H5F6NO4/c1-19-4-2-3(20-9(13,14)15)5(8(10,11)12)6(16-4)7(17)18/h2H,1H3,(H,17,18)
InChIKeyPFDVOVKBOJQARN-UHFFFAOYSA-N
XLogP2.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
6-methoxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679364
6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089553
3-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridin-2-amine
CID 133086223
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
6-methyl-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672820
3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334
4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680738
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 134676940) is 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid is COc1cc(OC(F)(F)F)c(C(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is PFDVOVKBOJQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4/c1-19-4-2-3(20-9(13,14)15)5(8(10,11)12)6(16-4)7(17)18/h2H,1H3,(H,17,18).
What are the key properties of 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 305.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134676940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).