2-anilino-3,5,6-trichloropyridine-4-carbonitrile

C12H6Cl3N3 — CID 13057542

IUPAC2-anilino-3,5,6-trichloropyridine-4-carbonitrile
SMILESN#Cc1c(Cl)c(Cl)nc(Nc2ccccc2)c1Cl
InChIInChI=1S/C12H6Cl3N3/c13-9-8(6-16)10(14)12(18-11(9)15)17-7-4-2-1-3-5-7/h1-5H,(H,17,18)
InChIKeyLMAHRHSELZCAPO-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.66
Rot. Bonds2

About 2-anilino-3,5,6-trichloropyridine-4-carbonitrile

2-anilino-3,5,6-trichloropyridine-4-carbonitrile (PubChem CID 13057542) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-anilino-3,5,6-trichloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-anilino-3,5,6-trichloropyridine-4-carbonitrile
PubChem CID13057542
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name2-anilino-3,5,6-trichloropyridine-4-carbonitrile
SMILESN#Cc1c(Cl)c(Cl)nc(Nc2ccccc2)c1Cl
InChIInChI=1S/C12H6Cl3N3/c13-9-8(6-16)10(14)12(18-11(9)15)17-7-4-2-1-3-5-7/h1-5H,(H,17,18)
InChIKeyLMAHRHSELZCAPO-UHFFFAOYSA-N
XLogP4.66
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-anilino-3,5,6-trichloropyridine-2-carbonitrile
CID 166798381
2,4,5-trichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 21234722
4-anilino-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 15630605
3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one
CID 66846643
2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 10827600
2-anilino-4-(1-phenylethyl)quinoline-3-carbonitrile
CID 70251523
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855
sodium;aniline;4-anilino-2,3,6-trichloro-5-isocyanobenzonitrile;2,3,4,6-tetrachloro-5-isocyanobenzonitrile;hydroxide
CID 159980324
4-anilino-2-(2-methylpropylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
CID 167713852
4-chloro-N-phenylisoquinolin-3-amine
CID 91102388
2-azido-4,5-dichloro-6-(3-hydroxyanilino)pyridine-3-carbonitrile
CID 21233911
2-anilino-6-tert-butylpyridine-3-carbonitrile
CID 167790421

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3,5,6-trichloropyridine-4-carbonitrile?
The IUPAC name of 2-anilino-3,5,6-trichloropyridine-4-carbonitrile (CID 13057542) is 2-anilino-3,5,6-trichloropyridine-4-carbonitrile.
What is the SMILES notation for 2-anilino-3,5,6-trichloropyridine-4-carbonitrile?
The canonical SMILES for 2-anilino-3,5,6-trichloropyridine-4-carbonitrile is N#Cc1c(Cl)c(Cl)nc(Nc2ccccc2)c1Cl.
What is the InChIKey of 2-anilino-3,5,6-trichloropyridine-4-carbonitrile?
The InChIKey is LMAHRHSELZCAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-9-8(6-16)10(14)12(18-11(9)15)17-7-4-2-1-3-5-7/h1-5H,(H,17,18).
What are the key properties of 2-anilino-3,5,6-trichloropyridine-4-carbonitrile?
2-anilino-3,5,6-trichloropyridine-4-carbonitrile has a molecular weight of 298.56 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3,5,6-trichloropyridine-4-carbonitrile is sourced from PubChem (CID 13057542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).