2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile

C15H10ClF6N3 — CID 14946865

IUPAC2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF6N3/c1-8-6-13(14(17,18)19,15(20,21)22)11(7-23)12(24)25(8)10-4-2-9(16)3-5-10/h2-6H,24H2,1H3
InChIKeyHQEHPRUDBKKSCR-UHFFFAOYSA-N
MW381.71 g/mol
LogP4.87
Rot. Bonds1

About 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile

2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 14946865) has the molecular formula C15H10ClF6N3 and a molecular weight of 381.71 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID14946865
Molecular FormulaC15H10ClF6N3
Molecular Weight381.71 g/mol
Exact Mass381.05
IUPAC Name2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF6N3/c1-8-6-13(14(17,18)19,15(20,21)22)11(7-23)12(24)25(8)10-4-2-9(16)3-5-10/h2-6H,24H2,1H3
InChIKeyHQEHPRUDBKKSCR-UHFFFAOYSA-N
XLogP4.87
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.71
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile (CID 14946865) is 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile is CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is HQEHPRUDBKKSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6N3/c1-8-6-13(14(17,18)19,15(20,21)22)11(7-23)12(24)25(8)10-4-2-9(16)3-5-10/h2-6H,24H2,1H3.
What are the key properties of 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 381.71 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 14946865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).