2,4-dichloroaniline;molecular nitrogen

C6H5Cl2N3 — CID 69010854

IUPAC2,4-dichloroaniline;molecular nitrogen
SMILESN#N.Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2N.N2/c7-4-1-2-6(9)5(8)3-4;1-2/h1-3H,9H2;
InChIKeyANQAOAIZKBJLNA-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.61
Rot. Bonds

About 2,4-dichloroaniline;molecular nitrogen

2,4-dichloroaniline;molecular nitrogen (PubChem CID 69010854) has the molecular formula C6H5Cl2N3 and a molecular weight of 190.03 g/mol. Its IUPAC name is 2,4-dichloroaniline;molecular nitrogen.

Molecular Properties

Compound Name2,4-dichloroaniline;molecular nitrogen
PubChem CID69010854
Molecular FormulaC6H5Cl2N3
Molecular Weight190.03 g/mol
Exact Mass188.99
IUPAC Name2,4-dichloroaniline;molecular nitrogen
SMILESN#N.Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2N.N2/c7-4-1-2-6(9)5(8)3-4;1-2/h1-3H,9H2;
InChIKeyANQAOAIZKBJLNA-UHFFFAOYSA-N
XLogP2.61
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline
CID 54505726
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
3,6-dichloronaphthalen-2-amine
CID 156754517
6-chloronaphthalene-1,4-diamine
CID 21424529
2-chloro-4-methylaniline
CID 12007
CID 89203110
CID 89203110
2-Boranyl-4-chloro-phenylamine
CID 86625981
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
4-chloro-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 81275413
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloroaniline;molecular nitrogen?
The IUPAC name of 2,4-dichloroaniline;molecular nitrogen (CID 69010854) is 2,4-dichloroaniline;molecular nitrogen.
What is the SMILES notation for 2,4-dichloroaniline;molecular nitrogen?
The canonical SMILES for 2,4-dichloroaniline;molecular nitrogen is N#N.Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloroaniline;molecular nitrogen?
The InChIKey is ANQAOAIZKBJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.N2/c7-4-1-2-6(9)5(8)3-4;1-2/h1-3H,9H2;.
What are the key properties of 2,4-dichloroaniline;molecular nitrogen?
2,4-dichloroaniline;molecular nitrogen has a molecular weight of 190.03 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloroaniline;molecular nitrogen is sourced from PubChem (CID 69010854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).