2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile

C17H11BrN4 — CID 3517909

IUPAC2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2cccnc2)nc1N
InChIInChI=1S/C17H11BrN4/c18-13-5-3-11(4-6-13)14-8-16(12-2-1-7-21-10-12)22-17(20)15(14)9-19/h1-8,10H,(H2,20,22)
InChIKeyIHXZLFVZXDEAEP-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.03
Rot. Bonds2

About 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile

2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 3517909) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID3517909
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2cccnc2)nc1N
InChIInChI=1S/C17H11BrN4/c18-13-5-3-11(4-6-13)14-8-16(12-2-1-7-21-10-12)22-17(20)15(14)9-19/h1-8,10H,(H2,20,22)
InChIKeyIHXZLFVZXDEAEP-UHFFFAOYSA-N
XLogP4.03
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile (CID 3517909) is 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)cc(-c2cccnc2)nc1N.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is IHXZLFVZXDEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-13-5-3-11(4-6-13)14-8-16(12-2-1-7-21-10-12)22-17(20)15(14)9-19/h1-8,10H,(H2,20,22).
What are the key properties of 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 351.21 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 3517909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).