2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile

C14H10Cl3N3 — CID 81060425

IUPAC2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(Cl)c(Cl)cc2Cl)c(C#N)c(C)n1
InChIInChI=1S/C14H10Cl3N3/c1-7-3-13(9(6-18)8(2)19-7)20-14-5-11(16)10(15)4-12(14)17/h3-5H,1-2H3,(H,19,20)
InChIKeyOWCKFEVIBRXVJQ-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.27
Rot. Bonds2

About 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile

2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile (PubChem CID 81060425) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
PubChem CID81060425
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(Cl)c(Cl)cc2Cl)c(C#N)c(C)n1
InChIInChI=1S/C14H10Cl3N3/c1-7-3-13(9(6-18)8(2)19-7)20-14-5-11(16)10(15)4-12(14)17/h3-5H,1-2H3,(H,19,20)
InChIKeyOWCKFEVIBRXVJQ-UHFFFAOYSA-N
XLogP5.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107574631
4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060361
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030
4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060340
4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060865
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
2,6-dimethyl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbonitrile
CID 81060660
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81061197
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396607
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile (CID 81060425) is 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile is Cc1cc(Nc2cc(Cl)c(Cl)cc2Cl)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile?
The InChIKey is OWCKFEVIBRXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c1-7-3-13(9(6-18)8(2)19-7)20-14-5-11(16)10(15)4-12(14)17/h3-5H,1-2H3,(H,19,20).
What are the key properties of 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile?
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile has a molecular weight of 326.61 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 81060425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).