5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile

C104H91ClF17N25O2 — CID 161002474

About 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile

5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile (PubChem CID 161002474) has the molecular formula C104H91ClF17N25O2 and a molecular weight of 2081.46 g/mol. Its IUPAC name is 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile
• PubChem CID: 161002474
• Molecular Formula: C104H91ClF17N25O2
• Molecular Weight: 2081.46 g/mol
• Exact Mass: 2079.72
• IUPAC Name: 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile
• SMILES: CC(F)(F)c1nc(-c2cncc(C#N)c2)ccc1N.CC(F)(F)c1nc(-c2cncc(Cl)c2)ccc1N.CNc1ccc(-c2cncc(C#N)c2)nc1C(C)(F)F.CNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.CNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.CNc1ccc(-c2cncc(OC)c2)nc1C(C)(F)F.Cc1ccc(-c2cncc(F)c2)nc1C#N.Cc1ccc(-c2cncc(OC(F)F)c2)nc1C
• InChI: InChI=1S/C14H12F2N4.C14H15F2N3O.2C13H12F3N3.C13H10F2N4.C13H12F2N2O.C12H10ClF2N3.C12H8FN3/c1-14(15,16)13-12(18-2)4-3-11(20-13)10-5-9(6-17)7-19-8-10;1-14(15,16)13-12(17-2)5-4-11(19-13)9-6-10(20-3)8-18-7-9;2*1-13(15,16)12-11(17-2)4-3-10(19-12)8-5-9(14)7-18-6-8;1-13(14,15)12-10(17)2-3-11(19-12)9-4-8(5-16)6-18-7-9;1-8-3-4-12(17-9(8)2)10-5-11(7-16-6-10)18-13(14)15;1-12(14,15)11-9(16)2-3-10(18-11)7-4-8(13)6-17-5-7;1-8-2-3-11(16-12(8)5-14)9-4-10(13)7-15-6-9/h3-5,7-8,18H,1-2H3;4-8,17H,1-3H3;2*3-7,17H,1-2H3;2-4,6-7H,17H2,1H3;3-7,13H,1-2H3;2-6H,16H2,1H3;2-4,6-7H,1H3
• InChIKey: TWBHHWNBKLBQTC-UHFFFAOYSA-N
• XLogP: 25.37
• TPSA: 396.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.46
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile?

The IUPAC name of 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile (CID 161002474) is 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile.

What is the SMILES notation for 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile?

The canonical SMILES for 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile is CC(F)(F)c1nc(-c2cncc(C#N)c2)ccc1N.CC(F)(F)c1nc(-c2cncc(Cl)c2)ccc1N.CNc1ccc(-c2cncc(C#N)c2)nc1C(C)(F)F.CNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.CNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.CNc1ccc(-c2cncc(OC)c2)nc1C(C)(F)F.Cc1ccc(-c2cncc(F)c2)nc1C#N.Cc1ccc(-c2cncc(OC(F)F)c2)nc1C.

What is the InChIKey of 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile?

The InChIKey is TWBHHWNBKLBQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4.C14H15F2N3O.2C13H12F3N3.C13H10F2N4.C13H12F2N2O.C12H10ClF2N3.C12H8FN3/c1-14(15,16)13-12(18-2)4-3-11(20-13)10-5-9(6-17)7-19-8-10;1-14(15,16)13-12(17-2)5-4-11(19-13)9-6-10(20-3)8-18-7-9;2*1-13(15,16)12-11(17-2)4-3-10(19-12)8-5-9(14)7-18-6-8;1-13(14,15)12-10(17)2-3-11(19-12)9-4-8(5-16)6-18-7-9;1-8-3-4-12(17-9(8)2)10-5-11(7-16-6-10)18-13(14)15;1-12(14,15)11-9(16)2-3-10(18-11)7-4-8(13)6-17-5-7;1-8-2-3-11(16-12(8)5-14)9-4-10(13)7-15-6-9/h3-5,7-8,18H,1-2H3;4-8,17H,1-3H3;2*3-7,17H,1-2H3;2-4,6-7H,17H2,1H3;3-7,13H,1-2H3;2-6H,16H2,1H3;2-4,6-7H,1H3.

What are the key properties of 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile?

5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile has a molecular weight of 2081.46 g/mol, XLogP of 25.37, 21 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-amino-6-(1,1-difluoroethyl)-2-pyridinyl]pyridine-3-carbonitrile;6-(5-chloro-3-pyridinyl)-2-(1,1-difluoroethyl)pyridin-3-amine;bis(2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-methylpyridin-3-amine);2-(1,1-difluoroethyl)-6-(5-methoxy-3-pyridinyl)-N-methylpyridin-3-amine;5-[6-(1,1-difluoroethyl)-5-(methylamino)-2-pyridinyl]pyridine-3-carbonitrile;6-[5-(difluoromethoxy)-3-pyridinyl]-2,3-dimethylpyridine;6-(5-fluoro-3-pyridinyl)-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 161002474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).