N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

C11H9F3N2O — CID 115620858

IUPACN-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1ccoc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-2-1-4-15-10(9)16-6-8-3-5-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeySHCSJAMKZFXITF-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.31
Rot. Bonds3

About N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 115620858) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID115620858
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1ccoc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-2-1-4-15-10(9)16-6-8-3-5-17-7-8/h1-5,7H,6H2,(H,15,16)
InChIKeySHCSJAMKZFXITF-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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Related Compounds

N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133332763
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 47983158
N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61402525
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324570
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 54903289
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 115620858) is N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SHCSJAMKZFXITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)9-2-1-4-15-10(9)16-6-8-3-5-17-7-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(furan-3-ylmethyl)-3-(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-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115620858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).