2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C17H10F3N3O — CID 10449235

IUPAC2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(-c2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)11-5-3-10(4-6-11)14-8-12(15-2-1-7-24-15)13(9-21)16(22)23-14/h1-8H,(H2,22,23)
InChIKeyNAECRQHMQYANBX-UHFFFAOYSA-N
MW329.28 g/mol
LogP4.48
Rot. Bonds2

About 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 10449235) has the molecular formula C17H10F3N3O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID10449235
Molecular FormulaC17H10F3N3O
Molecular Weight329.28 g/mol
Exact Mass329.08
IUPAC Name2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(-c2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)11-5-3-10(4-6-11)14-8-12(15-2-1-7-24-15)13(9-21)16(22)23-14/h1-8H,(H2,22,23)
InChIKeyNAECRQHMQYANBX-UHFFFAOYSA-N
XLogP4.48
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 10449235) is 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1c(-c2ccco2)cc(-c2ccc(C(F)(F)F)cc2)nc1N.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is NAECRQHMQYANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O/c18-17(19,20)11-5-3-10(4-6-11)14-8-12(15-2-1-7-24-15)13(9-21)16(22)23-14/h1-8H,(H2,22,23).
What are the key properties of 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 329.28 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 10449235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).