N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C11H9F3N2O — CID 2989169

IUPACN-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ccco2)nc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-4-10(15-6-8)16-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyLGDZITXZWJDMQM-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.31
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2989169) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2989169
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCc2ccco2)nc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-4-10(15-6-8)16-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyLGDZITXZWJDMQM-UHFFFAOYSA-N
XLogP3.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2989169) is N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCc2ccco2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LGDZITXZWJDMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-3-4-10(15-6-8)16-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 242.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2989169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).