2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile

C13H10BrN3 — CID 54887346

IUPAC2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H10BrN3/c14-11-4-1-5-12(7-11)17-13(8-15)10-3-2-6-16-9-10/h1-7,9,13,17H
InChIKeyYWMXKYDJBOXBKE-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile

2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile (PubChem CID 54887346) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
PubChem CID54887346
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H10BrN3/c14-11-4-1-5-12(7-11)17-13(8-15)10-3-2-6-16-9-10/h1-7,9,13,17H
InChIKeyYWMXKYDJBOXBKE-UHFFFAOYSA-N
XLogP3.52
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile (CID 54887346) is 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile is N#CC(Nc1cccc(Br)c1)c1cccnc1.
What is the InChIKey of 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile?
The InChIKey is YWMXKYDJBOXBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c14-11-4-1-5-12(7-11)17-13(8-15)10-3-2-6-16-9-10/h1-7,9,13,17H.
What are the key properties of 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile?
2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile has a molecular weight of 288.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 54887346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).