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

C18H11Br2N3 — CID 3394234

IUPAC2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)nc1N
InChIInChI=1S/C18H11Br2N3/c19-13-5-1-11(2-6-13)15-9-17(23-18(22)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H2,22,23)
InChIKeyYKUXYXWBUCHOJP-UHFFFAOYSA-N
MW429.12 g/mol
LogP5.39
Rot. Bonds2

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

2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile (PubChem CID 3394234) has the molecular formula C18H11Br2N3 and a molecular weight of 429.12 g/mol. Its IUPAC name is 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile
PubChem CID3394234
Molecular FormulaC18H11Br2N3
Molecular Weight429.12 g/mol
Exact Mass426.93
IUPAC Name2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)nc1N
InChIInChI=1S/C18H11Br2N3/c19-13-5-1-11(2-6-13)15-9-17(23-18(22)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H2,22,23)
InChIKeyYKUXYXWBUCHOJP-UHFFFAOYSA-N
XLogP5.39
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.12
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
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2-Amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
CID 711468
MAP Kinase Inhibitor, 4
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2-Amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile
CID 14449992
2-Amino-1-(3-bromophenyl)-5-phenylpyrrole-3-carbonitrile
CID 71463143
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
2-Amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 754150
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
2-Bromo-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 1871785
6-Amino-4-(3-bromo-phenyl)-[2,3']bipyridinyl-5-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile (CID 3394234) is 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)nc1N.
What is the InChIKey of 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile?
The InChIKey is YKUXYXWBUCHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2N3/c19-13-5-1-11(2-6-13)15-9-17(23-18(22)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H2,22,23).
What are the key properties of 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile?
2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile has a molecular weight of 429.12 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(4-bromophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3394234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).