4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C14H10F4N2O3 — CID 71175274

IUPAC4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)cc2)c(F)c1N
InChIInChI=1S/C14H10F4N2O3/c1-23-12-9(19)8(15)10(20-11(12)13(21)22)6-2-4-7(5-3-6)14(16,17)18/h2-5H,1H3,(H2,19,20)(H,21,22)
InChIKeyZTGXICHXUBKFIG-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.20
Rot. Bonds3

About 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 71175274) has the molecular formula C14H10F4N2O3 and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID71175274
Molecular FormulaC14H10F4N2O3
Molecular Weight330.24 g/mol
Exact Mass330.06
IUPAC Name4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)cc2)c(F)c1N
InChIInChI=1S/C14H10F4N2O3/c1-23-12-9(19)8(15)10(20-11(12)13(21)22)6-2-4-7(5-3-6)14(16,17)18/h2-5H,1H3,(H2,19,20)(H,21,22)
InChIKeyZTGXICHXUBKFIG-UHFFFAOYSA-N
XLogP3.20
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 71175274) is 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)cc2)c(F)c1N.
What is the InChIKey of 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is ZTGXICHXUBKFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O3/c1-23-12-9(19)8(15)10(20-11(12)13(21)22)6-2-4-7(5-3-6)14(16,17)18/h2-5H,1H3,(H2,19,20)(H,21,22).
What are the key properties of 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 330.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 71175274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).