2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile

C18H10BrCl2N3 — CID 5117039

IUPAC2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2cccc(Br)c2)nc1N
InChIInChI=1S/C18H10BrCl2N3/c19-11-4-1-3-10(7-11)16-8-13(14(9-22)18(23)24-16)12-5-2-6-15(20)17(12)21/h1-8H,(H2,23,24)
InChIKeyAISPHKQIRUVJLI-UHFFFAOYSA-N
MW419.11 g/mol
LogP5.94
Rot. Bonds2

About 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile

2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 5117039) has the molecular formula C18H10BrCl2N3 and a molecular weight of 419.11 g/mol. Its IUPAC name is 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID5117039
Molecular FormulaC18H10BrCl2N3
Molecular Weight419.11 g/mol
Exact Mass416.94
IUPAC Name2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2cccc(Br)c2)nc1N
InChIInChI=1S/C18H10BrCl2N3/c19-11-4-1-3-10(7-11)16-8-13(14(9-22)18(23)24-16)12-5-2-6-15(20)17(12)21/h1-8H,(H2,23,24)
InChIKeyAISPHKQIRUVJLI-UHFFFAOYSA-N
XLogP5.94
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.11
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,3-dichlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3391786
2-amino-4-(2,3-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543956
2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 3418568
2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088555
2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3529548
2-amino-4-(2-fluorophenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118076
2-amino-6-(3-chlorophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
CID 3386706
2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659437
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3367991
2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636492

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile (CID 5117039) is 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2cccc(Br)c2)nc1N.
What is the InChIKey of 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is AISPHKQIRUVJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrCl2N3/c19-11-4-1-3-10(7-11)16-8-13(14(9-22)18(23)24-16)12-5-2-6-15(20)17(12)21/h1-8H,(H2,23,24).
What are the key properties of 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile?
2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 419.11 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-bromophenyl)-4-(2,3-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5117039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).