3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid

C14H11F3N2O3 — CID 86728207

IUPAC3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-3-1-2-9(6-10)7-19-12-8-18-5-4-11(12)13(20)21/h1-6,8,19H,7H2,(H,20,21)
InChIKeyDADJCXBYNKOCQO-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.29
Rot. Bonds5

About 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid

3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid (PubChem CID 86728207) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid
PubChem CID86728207
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-3-1-2-9(6-10)7-19-12-8-18-5-4-11(12)13(20)21/h1-6,8,19H,7H2,(H,20,21)
InChIKeyDADJCXBYNKOCQO-UHFFFAOYSA-N
XLogP3.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid (CID 86728207) is 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid?
The InChIKey is DADJCXBYNKOCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-3-1-2-9(6-10)7-19-12-8-18-5-4-11(12)13(20)21/h1-6,8,19H,7H2,(H,20,21).
What are the key properties of 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid?
3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 312.25 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 86728207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).