2-(2,6-dibromoanilino)pyridine-3-carbonitrile

C12H7Br2N3 — CID 107600351

IUPAC2-(2,6-dibromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1c(Br)cccc1Br
InChIInChI=1S/C12H7Br2N3/c13-9-4-1-5-10(14)11(9)17-12-8(7-15)3-2-6-16-12/h1-6H,(H,16,17)
InChIKeyGVHMAGUKVYKHGZ-UHFFFAOYSA-N
MW353.02 g/mol
LogP4.22
Rot. Bonds2

About 2-(2,6-dibromoanilino)pyridine-3-carbonitrile

2-(2,6-dibromoanilino)pyridine-3-carbonitrile (PubChem CID 107600351) has the molecular formula C12H7Br2N3 and a molecular weight of 353.02 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)pyridine-3-carbonitrile
PubChem CID107600351
Molecular FormulaC12H7Br2N3
Molecular Weight353.02 g/mol
Exact Mass350.90
IUPAC Name2-(2,6-dibromoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1c(Br)cccc1Br
InChIInChI=1S/C12H7Br2N3/c13-9-4-1-5-10(14)11(9)17-12-8(7-15)3-2-6-16-12/h1-6H,(H,16,17)
InChIKeyGVHMAGUKVYKHGZ-UHFFFAOYSA-N
XLogP4.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.02
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
2-(2-chloro-6-methylanilino)pyridine-3-carbonitrile
CID 66256473
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
2-(3,5-difluoroanilino)pyridine-3-carbonitrile
CID 24703722
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[(6-bromo-3-nitro-2-pyridinyl)amino]pyridine-3-carbonitrile
CID 163228811
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]pyridine-3-carbonitrile
CID 65474165
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
2-(4-butan-2-ylanilino)pyridine-3-carbonitrile
CID 11842297

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,6-dibromoanilino)pyridine-3-carbonitrile (CID 107600351) is 2-(2,6-dibromoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,6-dibromoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,6-dibromoanilino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromoanilino)pyridine-3-carbonitrile?
The InChIKey is GVHMAGUKVYKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3/c13-9-4-1-5-10(14)11(9)17-12-8(7-15)3-2-6-16-12/h1-6H,(H,16,17).
What are the key properties of 2-(2,6-dibromoanilino)pyridine-3-carbonitrile?
2-(2,6-dibromoanilino)pyridine-3-carbonitrile has a molecular weight of 353.02 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 107600351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).