5-chloro-N-ethenyl-2-nitroaniline

C8H7ClN2O2 — CID 174515367

IUPAC5-chloro-N-ethenyl-2-nitroaniline
SMILESC=CNc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O2/c1-2-10-7-5-6(9)3-4-8(7)11(12)13/h2-5,10H,1H2
InChIKeyFRQPFCCIQHNLKH-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-N-ethenyl-2-nitroaniline

5-chloro-N-ethenyl-2-nitroaniline (PubChem CID 174515367) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-chloro-N-ethenyl-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-ethenyl-2-nitroaniline
PubChem CID174515367
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-chloro-N-ethenyl-2-nitroaniline
SMILESC=CNc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O2/c1-2-10-7-5-6(9)3-4-8(7)11(12)13/h2-5,10H,1H2
InChIKeyFRQPFCCIQHNLKH-UHFFFAOYSA-N
XLogP2.80
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-(5-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
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5-chloro-N-(2-ethylsulfinylethyl)-2-nitroaniline
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5-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-nitroaniline
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5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethenyl-2-nitroaniline?
The IUPAC name of 5-chloro-N-ethenyl-2-nitroaniline (CID 174515367) is 5-chloro-N-ethenyl-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-ethenyl-2-nitroaniline?
The canonical SMILES for 5-chloro-N-ethenyl-2-nitroaniline is C=CNc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-ethenyl-2-nitroaniline?
The InChIKey is FRQPFCCIQHNLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c1-2-10-7-5-6(9)3-4-8(7)11(12)13/h2-5,10H,1H2.
What are the key properties of 5-chloro-N-ethenyl-2-nitroaniline?
5-chloro-N-ethenyl-2-nitroaniline has a molecular weight of 198.61 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethenyl-2-nitroaniline is sourced from PubChem (CID 174515367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).