2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

C19H11F4N3O — CID 3362049

IUPAC2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C19H11F4N3O/c20-13-5-1-12(2-6-13)17-9-15(16(10-24)18(25)26-17)11-3-7-14(8-4-11)27-19(21,22)23/h1-9H,(H2,25,26)
InChIKeyITFFKIGGOJPQEN-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.91
Rot. Bonds3

About 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 3362049) has the molecular formula C19H11F4N3O and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID3362049
Molecular FormulaC19H11F4N3O
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C19H11F4N3O/c20-13-5-1-12(2-6-13)17-9-15(16(10-24)18(25)26-17)11-3-7-14(8-4-11)27-19(21,22)23/h1-9H,(H2,25,26)
InChIKeyITFFKIGGOJPQEN-UHFFFAOYSA-N
XLogP4.91
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 3362049) is 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is ITFFKIGGOJPQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O/c20-13-5-1-12(2-6-13)17-9-15(16(10-24)18(25)26-17)11-3-7-14(8-4-11)27-19(21,22)23/h1-9H,(H2,25,26).
What are the key properties of 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 373.31 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3362049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).