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

C17H11BrN4 — CID 5117531

IUPAC2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)cc(-c2ccccc2Br)nc1N
InChIInChI=1S/C17H11BrN4/c18-15-6-2-1-5-12(15)16-8-13(11-4-3-7-21-10-11)14(9-19)17(20)22-16/h1-8,10H,(H2,20,22)
InChIKeyZUYUDZRFCKRPKJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.03
Rot. Bonds2

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

2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 5117531) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID5117531
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)cc(-c2ccccc2Br)nc1N
InChIInChI=1S/C17H11BrN4/c18-15-6-2-1-5-12(15)16-8-13(11-4-3-7-21-10-11)14(9-19)17(20)22-16/h1-8,10H,(H2,20,22)
InChIKeyZUYUDZRFCKRPKJ-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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Related Compounds

2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
CID 5117882
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
CID 171429616
2-amino-6-pyridin-3-yl-4-(1-pyridin-3-ylpyrrol-2-yl)pyridine-3-carbonitrile
CID 56753845
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
CID 5117890
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide
CID 71625309

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile (CID 5117531) is 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile is N#Cc1c(-c2cccnc2)cc(-c2ccccc2Br)nc1N.
What is the InChIKey of 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is ZUYUDZRFCKRPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-15-6-2-1-5-12(15)16-8-13(11-4-3-7-21-10-11)14(9-19)17(20)22-16/h1-8,10H,(H2,20,22).
What are the key properties of 2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-6-(2-bromophenyl)-4-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-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 5117531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).