2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile

C13H10BrN3 — CID 114881036

IUPAC2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
SMILESCc1ccncc1Nc1cccc(Br)c1C#N
InChIInChI=1S/C13H10BrN3/c1-9-5-6-16-8-13(9)17-12-4-2-3-11(14)10(12)7-15/h2-6,8,17H,1H3
InChIKeyPWZVPMJXUGOIMX-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.77
Rot. Bonds2

About 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile

2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile (PubChem CID 114881036) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
PubChem CID114881036
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
SMILESCc1ccncc1Nc1cccc(Br)c1C#N
InChIInChI=1S/C13H10BrN3/c1-9-5-6-16-8-13(9)17-12-4-2-3-11(14)10(12)7-15/h2-6,8,17H,1H3
InChIKeyPWZVPMJXUGOIMX-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

2-bromo-6-[(4-methyl-3-pyridinyl)methylamino]benzonitrile
CID 114956144
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
4-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 55220100
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2,6-dibromobenzonitrile
CID 12683209
2-bromo-6-(3-iodo-4-methylanilino)benzonitrile
CID 114257443
2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
CID 114881431
2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
CID 114880413
2-bromo-6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 114880753
2-bromo-6-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 114881261
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile?
The IUPAC name of 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile (CID 114881036) is 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile is Cc1ccncc1Nc1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile?
The InChIKey is PWZVPMJXUGOIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-5-6-16-8-13(9)17-12-4-2-3-11(14)10(12)7-15/h2-6,8,17H,1H3.
What are the key properties of 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile?
2-bromo-6-[(4-methyl-3-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 2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 114881036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).