2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile

C17H12FN3S — CID 936317

IUPAC2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H12FN3S/c1-10-15(14-3-2-8-22-14)13(9-19)17(20)21-16(10)11-4-6-12(18)7-5-11/h2-8H,1H3,(H2,20,21)
InChIKeyDTWSDCGPOXILFP-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.38
Rot. Bonds2

About 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile

2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 936317) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID936317
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H12FN3S/c1-10-15(14-3-2-8-22-14)13(9-19)17(20)21-16(10)11-4-6-12(18)7-5-11/h2-8H,1H3,(H2,20,21)
InChIKeyDTWSDCGPOXILFP-UHFFFAOYSA-N
XLogP4.38
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.38
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)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 936317) is 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile is Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is DTWSDCGPOXILFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c1-10-15(14-3-2-8-22-14)13(9-19)17(20)21-16(10)11-4-6-12(18)7-5-11/h2-8H,1H3,(H2,20,21).
What are the key properties of 2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-6-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 4.38, 2 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)-5-methyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).