5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile

C14H12BrN3 — CID 115487739

IUPAC5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Br)cc(C)c1Nc1ccc(C#N)nc1
InChIInChI=1S/C14H12BrN3/c1-9-5-11(15)6-10(2)14(9)18-13-4-3-12(7-16)17-8-13/h3-6,8,18H,1-2H3
InChIKeyYRWWELFJLRSARY-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.08
Rot. Bonds2

About 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile

5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile (PubChem CID 115487739) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
PubChem CID115487739
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Br)cc(C)c1Nc1ccc(C#N)nc1
InChIInChI=1S/C14H12BrN3/c1-9-5-11(15)6-10(2)14(9)18-13-4-3-12(7-16)17-8-13/h3-6,8,18H,1-2H3
InChIKeyYRWWELFJLRSARY-UHFFFAOYSA-N
XLogP4.08
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818919
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
2-amino-5-(4-bromo-2,6-dimethylanilino)benzonitrile
CID 115499574
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile (CID 115487739) is 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile is Cc1cc(Br)cc(C)c1Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile?
The InChIKey is YRWWELFJLRSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-5-11(15)6-10(2)14(9)18-13-4-3-12(7-16)17-8-13/h3-6,8,18H,1-2H3.
What are the key properties of 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile?
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile has a molecular weight of 302.18 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).