N-chloroaniline;2-chloroaniline

C12H12Cl2N2 — CID 158101021

IUPACN-chloroaniline;2-chloroaniline
SMILESClNc1ccccc1.Nc1ccccc1Cl
InChIInChI=1S/2C6H6ClN/c7-8-6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8/h1-5,8H;1-4H,8H2
InChIKeyFPGGTCAAVIZXLH-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.17
Rot. Bonds1

About N-chloroaniline;2-chloroaniline

N-chloroaniline;2-chloroaniline (PubChem CID 158101021) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is N-chloroaniline;2-chloroaniline.

Molecular Properties

Compound NameN-chloroaniline;2-chloroaniline
PubChem CID158101021
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC NameN-chloroaniline;2-chloroaniline
SMILESClNc1ccccc1.Nc1ccccc1Cl
InChIInChI=1S/2C6H6ClN/c7-8-6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8/h1-5,8H;1-4H,8H2
InChIKeyFPGGTCAAVIZXLH-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-chloroaniline;hydride
CID 175102448
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2-chloroaniline;N,5-dimethylpyridin-2-amine
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N-[1-(2-chlorophenyl)ethenyl]aniline
CID 155122535
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Frequently Asked Questions

What is the IUPAC name of N-chloroaniline;2-chloroaniline?
The IUPAC name of N-chloroaniline;2-chloroaniline (CID 158101021) is N-chloroaniline;2-chloroaniline.
What is the SMILES notation for N-chloroaniline;2-chloroaniline?
The canonical SMILES for N-chloroaniline;2-chloroaniline is ClNc1ccccc1.Nc1ccccc1Cl.
What is the InChIKey of N-chloroaniline;2-chloroaniline?
The InChIKey is FPGGTCAAVIZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6ClN/c7-8-6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8/h1-5,8H;1-4H,8H2.
What are the key properties of N-chloroaniline;2-chloroaniline?
N-chloroaniline;2-chloroaniline has a molecular weight of 255.15 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloroaniline;2-chloroaniline is sourced from PubChem (CID 158101021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).