4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile

C13H10BrN3 — CID 106876502

IUPAC4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
SMILESCc1ccnc(Nc2ccc(C#N)cc2)c1Br
InChIInChI=1S/C13H10BrN3/c1-9-6-7-16-13(12(9)14)17-11-4-2-10(8-15)3-5-11/h2-7H,1H3,(H,16,17)
InChIKeyBOSKNCWADYVMKP-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.77
Rot. Bonds2

About 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile

4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile (PubChem CID 106876502) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
PubChem CID106876502
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
SMILESCc1ccnc(Nc2ccc(C#N)cc2)c1Br
InChIInChI=1S/C13H10BrN3/c1-9-6-7-16-13(12(9)14)17-11-4-2-10(8-15)3-5-11/h2-7H,1H3,(H,16,17)
InChIKeyBOSKNCWADYVMKP-UHFFFAOYSA-N
XLogP3.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
CID 106876466
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
4-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 55220100
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 106877354
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
CID 106876452
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-[[5-bromo-2-(2,3,4-trimethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 69489049
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
4-[(8-iodo-7-methylquinazolin-4-yl)amino]benzonitrile
CID 125469438
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile (CID 106876502) is 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile is Cc1ccnc(Nc2ccc(C#N)cc2)c1Br.
What is the InChIKey of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile?
The InChIKey is BOSKNCWADYVMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-6-7-16-13(12(9)14)17-11-4-2-10(8-15)3-5-11/h2-7H,1H3,(H,16,17).
What are the key properties of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile?
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile has a molecular weight of 288.15 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 106876502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).