2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile

C18H12BrN3 — CID 1042305

IUPAC2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Br)c2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H12BrN3/c19-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)22-18(21)16(15)11-20/h1-10H,(H2,21,22)
InChIKeyBLORGSCLWGYRAE-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.63
Rot. Bonds2

About 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 1042305) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID1042305
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC Name2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Br)c2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H12BrN3/c19-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)22-18(21)16(15)11-20/h1-10H,(H2,21,22)
InChIKeyBLORGSCLWGYRAE-UHFFFAOYSA-N
XLogP4.63
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile (CID 1042305) is 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile is N#Cc1c(-c2cccc(Br)c2)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is BLORGSCLWGYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)22-18(21)16(15)11-20/h1-10H,(H2,21,22).
What are the key properties of 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 350.22 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1042305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).