6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile

C12H7BrIN3 — CID 114260197

IUPAC6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(Br)ccc2I)nc1
InChIInChI=1S/C12H7BrIN3/c13-9-2-3-10(14)11(5-9)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17)
InChIKeyQBBNNVDJPAVKSA-UHFFFAOYSA-N
MW400.02 g/mol
LogP4.06
Rot. Bonds2

About 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile

6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile (PubChem CID 114260197) has the molecular formula C12H7BrIN3 and a molecular weight of 400.02 g/mol. Its IUPAC name is 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
PubChem CID114260197
Molecular FormulaC12H7BrIN3
Molecular Weight400.02 g/mol
Exact Mass398.89
IUPAC Name6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(Br)ccc2I)nc1
InChIInChI=1S/C12H7BrIN3/c13-9-2-3-10(14)11(5-9)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17)
InChIKeyQBBNNVDJPAVKSA-UHFFFAOYSA-N
XLogP4.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.02
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54953901
6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
CID 24697637
4-bromo-2-[(5-cyanopyridine-2-carbonyl)amino]benzoic acid
CID 63723009
6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
CID 143918294
3-[(5-bromo-2-pyridinyl)amino]benzonitrile
CID 61375083
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
5-(5-bromo-2-iodoanilino)-1,3-dimethylpyrazole-4-carbonitrile
CID 114260200
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
CID 82120847
6-(2,6-dichloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 83078578
N-(5-cyano-2-pyridinyl)formamide
CID 64992105
2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
CID 83073282

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile (CID 114260197) is 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile is N#Cc1ccc(Nc2cc(Br)ccc2I)nc1.
What is the InChIKey of 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile?
The InChIKey is QBBNNVDJPAVKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrIN3/c13-9-2-3-10(14)11(5-9)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17).
What are the key properties of 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile?
6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile has a molecular weight of 400.02 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 114260197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).