5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid

C14H11F3N2O2 — CID 12640203

IUPAC5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-9(6-10)7-18-11-4-5-12(13(20)21)19-8-11/h1-6,8,18H,7H2,(H,20,21)
InChIKeyVNFBRYAVLGONJI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.41
Rot. Bonds4

About 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid

5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 12640203) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
PubChem CID12640203
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-9(6-10)7-18-11-4-5-12(13(20)21)19-8-11/h1-6,8,18H,7H2,(H,20,21)
InChIKeyVNFBRYAVLGONJI-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid (CID 12640203) is 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is VNFBRYAVLGONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-9(6-10)7-18-11-4-5-12(13(20)21)19-8-11/h1-6,8,18H,7H2,(H,20,21).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).