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

C13H10BrN3 — CID 711468

IUPAC2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(Br)c2)c(C#N)c(N)n1
InChIInChI=1S/C13H10BrN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17)
InChIKeyYFWZQSPTWNGTFN-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.27
Rot. Bonds1

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

2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 711468) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
PubChem CID711468
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(Br)c2)c(C#N)c(N)n1
InChIInChI=1S/C13H10BrN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17)
InChIKeyYFWZQSPTWNGTFN-UHFFFAOYSA-N
XLogP3.27
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.27
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-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile (CID 711468) is 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile is Cc1cc(-c2cccc(Br)c2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is YFWZQSPTWNGTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17).
What are the key properties of 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile?
2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 288.15 g/mol, XLogP of 3.27, 1 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-methylpyridine-3-carbonitrile is sourced from PubChem (CID 711468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).