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

C14H9F5N2O3 — CID 71150577

IUPAC4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N
InChIInChI=1S/C14H9F5N2O3/c1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19/h2-4H,1H3,(H2,20,21)(H,22,23)
InChIKeyIEAGKCZQALLVHZ-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.33
Rot. Bonds3

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

4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid (PubChem CID 71150577) has the molecular formula C14H9F5N2O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid
PubChem CID71150577
Molecular FormulaC14H9F5N2O3
Molecular Weight348.23 g/mol
Exact Mass348.05
IUPAC Name4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N
InChIInChI=1S/C14H9F5N2O3/c1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19/h2-4H,1H3,(H2,20,21)(H,22,23)
InChIKeyIEAGKCZQALLVHZ-UHFFFAOYSA-N
XLogP3.33
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.33
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-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid (CID 71150577) is 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N.
What is the InChIKey of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid?
The InChIKey is IEAGKCZQALLVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O3/c1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19/h2-4H,1H3,(H2,20,21)(H,22,23).
What are the key properties of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid?
4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid has a molecular weight of 348.23 g/mol, XLogP of 3.33, 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-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71150577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).