2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C20H13F4N3 — CID 5157022

IUPAC2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H13F4N3/c1-11-17(14-4-2-3-5-16(14)20(22,23)24)15(10-25)19(26)27-18(11)12-6-8-13(21)9-7-12/h2-9H,1H3,(H2,26,27)
InChIKeyDSYGLMKUUBAPOZ-UHFFFAOYSA-N
MW371.34 g/mol
LogP5.34
Rot. Bonds2

About 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 5157022) has the molecular formula C20H13F4N3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID5157022
Molecular FormulaC20H13F4N3
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Name2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H13F4N3/c1-11-17(14-4-2-3-5-16(14)20(22,23)24)15(10-25)19(26)27-18(11)12-6-8-13(21)9-7-12/h2-9H,1H3,(H2,26,27)
InChIKeyDSYGLMKUUBAPOZ-UHFFFAOYSA-N
XLogP5.34
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.34
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 5157022) is 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is DSYGLMKUUBAPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3/c1-11-17(14-4-2-3-5-16(14)20(22,23)24)15(10-25)19(26)27-18(11)12-6-8-13(21)9-7-12/h2-9H,1H3,(H2,26,27).
What are the key properties of 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 371.34 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 5157022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).