4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C9H5F6NO4 — CID 134680069

IUPAC4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)cnc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5F6NO4/c1-19-5-3(7(17)18)2-16-6(20-9(13,14)15)4(5)8(10,11)12/h2H,1H3,(H,17,18)
InChIKeyHNLGMYTVBKBFHX-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.71
Rot. Bonds3

About 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid

4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 134680069) has the molecular formula C9H5F6NO4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID134680069
Molecular FormulaC9H5F6NO4
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)cnc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5F6NO4/c1-19-5-3(7(17)18)2-16-6(20-9(13,14)15)4(5)8(10,11)12/h2H,1H3,(H,17,18)
InChIKeyHNLGMYTVBKBFHX-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

6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164
4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134669953
methyl 6-methoxy-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134663841
6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680090
5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134669439
ethyl 4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679427
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049
2-[4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682584
2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134680429
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134682676

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 134680069) is 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid is COc1c(C(=O)O)cnc(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is HNLGMYTVBKBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4/c1-19-5-3(7(17)18)2-16-6(20-9(13,14)15)4(5)8(10,11)12/h2H,1H3,(H,17,18).
What are the key properties of 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-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 4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134680069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).