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

C18H10BrCl2N3 — CID 3398254

IUPAC2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Br)cc2)nc1N
InChIInChI=1S/C18H10BrCl2N3/c19-12-4-1-10(2-5-12)17-8-13(14(9-22)18(23)24-17)11-3-6-15(20)16(21)7-11/h1-8H,(H2,23,24)
InChIKeyRAQKWKYAZGAKAI-UHFFFAOYSA-N
MW419.11 g/mol
LogP5.94
Rot. Bonds2

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

2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 3398254) has the molecular formula C18H10BrCl2N3 and a molecular weight of 419.11 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID3398254
Molecular FormulaC18H10BrCl2N3
Molecular Weight419.11 g/mol
Exact Mass416.94
IUPAC Name2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Br)cc2)nc1N
InChIInChI=1S/C18H10BrCl2N3/c19-12-4-1-10(2-5-12)17-8-13(14(9-22)18(23)24-17)11-3-6-15(20)16(21)7-11/h1-8H,(H2,23,24)
InChIKeyRAQKWKYAZGAKAI-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile (CID 3398254) is 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Br)cc2)nc1N.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is RAQKWKYAZGAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrCl2N3/c19-12-4-1-10(2-5-12)17-8-13(14(9-22)18(23)24-17)11-3-6-15(20)16(21)7-11/h1-8H,(H2,23,24).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(3,4-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-(4-bromophenyl)-4-(3,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3398254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).