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

C12H6BrF2N3 — CID 113320557

IUPAC5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Br)cn1
InChIInChI=1S/C12H6BrF2N3/c13-10-3-7(14)4-11(15)12(10)18-9-2-1-8(5-16)17-6-9/h1-4,6,18H
InChIKeyMTTDXAAHNZRFJE-UHFFFAOYSA-N
MW310.10 g/mol
LogP3.74
Rot. Bonds2

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

5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile (PubChem CID 113320557) has the molecular formula C12H6BrF2N3 and a molecular weight of 310.10 g/mol. Its IUPAC name is 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
PubChem CID113320557
Molecular FormulaC12H6BrF2N3
Molecular Weight310.10 g/mol
Exact Mass308.97
IUPAC Name5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Br)cn1
InChIInChI=1S/C12H6BrF2N3/c13-10-3-7(14)4-11(15)12(10)18-9-2-1-8(5-16)17-6-9/h1-4,6,18H
InChIKeyMTTDXAAHNZRFJE-UHFFFAOYSA-N
XLogP3.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile (CID 113320557) is 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile is N#Cc1ccc(Nc2c(F)cc(F)cc2Br)cn1.
What is the InChIKey of 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile?
The InChIKey is MTTDXAAHNZRFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2N3/c13-10-3-7(14)4-11(15)12(10)18-9-2-1-8(5-16)17-6-9/h1-4,6,18H.
What are the key properties of 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile?
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile has a molecular weight of 310.10 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 113320557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).