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

C9H5F6NO4 — CID 134665255

IUPAC5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCOc1cnc(C(F)(F)F)c(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H5F6NO4/c1-19-3-2-16-6(8(10,11)12)5(4(3)7(17)18)20-9(13,14)15/h2H,1H3,(H,17,18)
InChIKeyQPNSUMIPUKYCKW-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.71
Rot. Bonds3

About 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid

5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 134665255) has the molecular formula C9H5F6NO4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID134665255
Molecular FormulaC9H5F6NO4
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCOc1cnc(C(F)(F)F)c(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H5F6NO4/c1-19-3-2-16-6(8(10,11)12)5(4(3)7(17)18)20-9(13,14)15/h2H,1H3,(H,17,18)
InChIKeyQPNSUMIPUKYCKW-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

4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118852185
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443
methyl 5-hydroxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680560
3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681720
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679107
methyl 5-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134669027
2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133087681
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid (CID 134665255) is 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid is COc1cnc(C(F)(F)F)c(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is QPNSUMIPUKYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4/c1-19-3-2-16-6(8(10,11)12)5(4(3)7(17)18)20-9(13,14)15/h2H,1H3,(H,17,18).
What are the key properties of 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid?
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-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 5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 134665255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).