5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C12H9F3N2O2 — CID 66666207

IUPAC5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1coc(-c2cccnc2)c1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-11(18)9-4-10(19-6-9)8-2-1-3-16-5-8/h1-6H,7H2,(H,17,18)
InChIKeyYGGMEIAMSVCCCT-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.63
Rot. Bonds3

About 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 66666207) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID66666207
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1coc(-c2cccnc2)c1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-11(18)9-4-10(19-6-9)8-2-1-3-16-5-8/h1-6H,7H2,(H,17,18)
InChIKeyYGGMEIAMSVCCCT-UHFFFAOYSA-N
XLogP2.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 168526489
N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 69129380
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CID 63355636
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
5-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 66668146
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 66666207) is 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is O=C(NCC(F)(F)F)c1coc(-c2cccnc2)c1.
What is the InChIKey of 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is YGGMEIAMSVCCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)7-17-11(18)9-4-10(19-6-9)8-2-1-3-16-5-8/h1-6H,7H2,(H,17,18).
What are the key properties of 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 66666207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).