2-chloro-6-(2,6-dichloroanilino)benzonitrile

C13H7Cl3N2 — CID 65468244

IUPAC2-chloro-6-(2,6-dichloroanilino)benzonitrile
SMILESN#Cc1c(Cl)cccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-9-3-2-6-12(8(9)7-17)18-13-10(15)4-1-5-11(13)16/h1-6,18H
InChIKeyHONLZSPTUJMKHQ-UHFFFAOYSA-N
MW297.57 g/mol
LogP5.26
Rot. Bonds2

About 2-chloro-6-(2,6-dichloroanilino)benzonitrile

2-chloro-6-(2,6-dichloroanilino)benzonitrile (PubChem CID 65468244) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-chloro-6-(2,6-dichloroanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2,6-dichloroanilino)benzonitrile
PubChem CID65468244
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name2-chloro-6-(2,6-dichloroanilino)benzonitrile
SMILESN#Cc1c(Cl)cccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-9-3-2-6-12(8(9)7-17)18-13-10(15)4-1-5-11(13)16/h1-6,18H
InChIKeyHONLZSPTUJMKHQ-UHFFFAOYSA-N
XLogP5.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(4-iodoanilino)benzonitrile
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2-chloro-6-hydrazinylbenzonitrile;hydrochloride
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2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816
2-(3-bromo-4-iodoanilino)-6-chlorobenzonitrile
CID 114262114
2-chloro-6-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511488
2-chloro-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
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2-chloro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 55023917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-dichloroanilino)benzonitrile?
The IUPAC name of 2-chloro-6-(2,6-dichloroanilino)benzonitrile (CID 65468244) is 2-chloro-6-(2,6-dichloroanilino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2,6-dichloroanilino)benzonitrile?
The canonical SMILES for 2-chloro-6-(2,6-dichloroanilino)benzonitrile is N#Cc1c(Cl)cccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-chloro-6-(2,6-dichloroanilino)benzonitrile?
The InChIKey is HONLZSPTUJMKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-9-3-2-6-12(8(9)7-17)18-13-10(15)4-1-5-11(13)16/h1-6,18H.
What are the key properties of 2-chloro-6-(2,6-dichloroanilino)benzonitrile?
2-chloro-6-(2,6-dichloroanilino)benzonitrile has a molecular weight of 297.57 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-dichloroanilino)benzonitrile is sourced from PubChem (CID 65468244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).