2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile

C17H12BrN3O — CID 3399382

IUPAC2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)o1
InChIInChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
InChIKeyBJNDBSJFWBZKOI-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.53
Rot. Bonds2

About 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (PubChem CID 3399382) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
PubChem CID3399382
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)o1
InChIInChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
InChIKeyBJNDBSJFWBZKOI-UHFFFAOYSA-N
XLogP4.53
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CID 3399382) is 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)o1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The InChIKey is BJNDBSJFWBZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile has a molecular weight of 354.21 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3399382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).