5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid

C9H7F4NO4 — CID 134681650

IUPAC5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(OC(F)(F)F)c1CF
InChIInChI=1S/C9H7F4NO4/c1-17-7-4(3-10)6(18-9(11,12)13)2-5(14-7)8(15)16/h2H,3H2,1H3,(H,15,16)
InChIKeyPLEUXKOAQFENFW-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.16
Rot. Bonds4

About 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid

5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134681650) has the molecular formula C9H7F4NO4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134681650
Molecular FormulaC9H7F4NO4
Molecular Weight269.15 g/mol
Exact Mass269.03
IUPAC Name5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(OC(F)(F)F)c1CF
InChIInChI=1S/C9H7F4NO4/c1-17-7-4(3-10)6(18-9(11,12)13)2-5(14-7)8(15)16/h2H,3H2,1H3,(H,15,16)
InChIKeyPLEUXKOAQFENFW-UHFFFAOYSA-N
XLogP2.16
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669852
methyl 2-[2-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660556
6-(bromomethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665153
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
2-[2-amino-6-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119003450
5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085924
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134680955
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
3-hydroxy-6-methoxy-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659587

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134681650) is 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid is COc1nc(C(=O)O)cc(OC(F)(F)F)c1CF.
What is the InChIKey of 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is PLEUXKOAQFENFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO4/c1-17-7-4(3-10)6(18-9(11,12)13)2-5(14-7)8(15)16/h2H,3H2,1H3,(H,15,16).
What are the key properties of 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 269.15 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134681650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).