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

C21H16FN3O2S — CID 90313012

IUPAC6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile
SMILESN#Cc1nc(N)ccc1-c1ccc(-c2ccccc2S(=O)(=O)C2CC2)cc1F
InChIInChI=1S/C21H16FN3O2S/c22-18-11-13(5-8-16(18)17-9-10-21(24)25-19(17)12-23)15-3-1-2-4-20(15)28(26,27)14-6-7-14/h1-5,8-11,14H,6-7H2,(H2,24,25)
InChIKeyJOKKHXFICRGNOL-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.94
Rot. Bonds4

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

6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile (PubChem CID 90313012) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile
PubChem CID90313012
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile
SMILESN#Cc1nc(N)ccc1-c1ccc(-c2ccccc2S(=O)(=O)C2CC2)cc1F
InChIInChI=1S/C21H16FN3O2S/c22-18-11-13(5-8-16(18)17-9-10-21(24)25-19(17)12-23)15-3-1-2-4-20(15)28(26,27)14-6-7-14/h1-5,8-11,14H,6-7H2,(H2,24,25)
InChIKeyJOKKHXFICRGNOL-UHFFFAOYSA-N
XLogP3.94
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile (CID 90313012) is 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile is N#Cc1nc(N)ccc1-c1ccc(-c2ccccc2S(=O)(=O)C2CC2)cc1F.
What is the InChIKey of 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile?
The InChIKey is JOKKHXFICRGNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-18-11-13(5-8-16(18)17-9-10-21(24)25-19(17)12-23)15-3-1-2-4-20(15)28(26,27)14-6-7-14/h1-5,8-11,14H,6-7H2,(H2,24,25).
What are the key properties of 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile?
6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile has a molecular weight of 393.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 90313012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).