2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile

C7H5BrClN3 — CID 178072666

IUPAC2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile
SMILESN#CCNc1nc(Br)ccc1Cl
InChIInChI=1S/C7H5BrClN3/c8-6-2-1-5(9)7(12-6)11-4-3-10/h1-2H,4H2,(H,11,12)
InChIKeyWRGDJLPQGIKCGZ-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.43
Rot. Bonds2

About 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile

2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile (PubChem CID 178072666) has the molecular formula C7H5BrClN3 and a molecular weight of 246.50 g/mol. Its IUPAC name is 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile
PubChem CID178072666
Molecular FormulaC7H5BrClN3
Molecular Weight246.50 g/mol
Exact Mass244.94
IUPAC Name2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile
SMILESN#CCNc1nc(Br)ccc1Cl
InChIInChI=1S/C7H5BrClN3/c8-6-2-1-5(9)7(12-6)11-4-3-10/h1-2H,4H2,(H,11,12)
InChIKeyWRGDJLPQGIKCGZ-UHFFFAOYSA-N
XLogP2.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile?
The IUPAC name of 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile (CID 178072666) is 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile?
The canonical SMILES for 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile is N#CCNc1nc(Br)ccc1Cl.
What is the InChIKey of 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile?
The InChIKey is WRGDJLPQGIKCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3/c8-6-2-1-5(9)7(12-6)11-4-3-10/h1-2H,4H2,(H,11,12).
What are the key properties of 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile?
2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile has a molecular weight of 246.50 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-chloro-2-pyridinyl)amino]acetonitrile is sourced from PubChem (CID 178072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).