2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile

C19H10F5N3O — CID 3371344

IUPAC2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c(F)c(F)c(F)c(F)c3F)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H10F5N3O/c1-28-9-4-2-8(3-5-9)12-6-10(11(7-25)19(26)27-12)13-14(20)16(22)18(24)17(23)15(13)21/h2-6H,1H3,(H2,26,27)
InChIKeyGGGKJTKLCCRHRN-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.57
Rot. Bonds3

About 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile

2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile (PubChem CID 3371344) has the molecular formula C19H10F5N3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
PubChem CID3371344
Molecular FormulaC19H10F5N3O
Molecular Weight391.30 g/mol
Exact Mass391.07
IUPAC Name2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c(F)c(F)c(F)c(F)c3F)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H10F5N3O/c1-28-9-4-2-8(3-5-9)12-6-10(11(7-25)19(26)27-12)13-14(20)16(22)18(24)17(23)15(13)21/h2-6H,1H3,(H2,26,27)
InChIKeyGGGKJTKLCCRHRN-UHFFFAOYSA-N
XLogP4.57
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-4-(2,5-difluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3374289
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(furan-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 10469515
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-(4-methoxyphenyl)-4-pyren-1-ylpyridine-3-carbonitrile
CID 86573426
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile (CID 3371344) is 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3c(F)c(F)c(F)c(F)c3F)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?
The InChIKey is GGGKJTKLCCRHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N3O/c1-28-9-4-2-8(3-5-9)12-6-10(11(7-25)19(26)27-12)13-14(20)16(22)18(24)17(23)15(13)21/h2-6H,1H3,(H2,26,27).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?
2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile has a molecular weight of 391.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3371344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).