1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde

C10H7Cl2NO3 — CID 134179684

IUPAC1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C10H7Cl2NO3/c11-7-3-6(13(15)16)4-8(12)9(7)10(5-14)1-2-10/h3-5H,1-2H2
InChIKeyDLTFBOMDZOIERF-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde

1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde (PubChem CID 134179684) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde
PubChem CID134179684
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C10H7Cl2NO3/c11-7-3-6(13(15)16)4-8(12)9(7)10(5-14)1-2-10/h3-5H,1-2H2
InChIKeyDLTFBOMDZOIERF-UHFFFAOYSA-N
XLogP3.13
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde (CID 134179684) is 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde is O=CC1(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is DLTFBOMDZOIERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c11-7-3-6(13(15)16)4-8(12)9(7)10(5-14)1-2-10/h3-5H,1-2H2.
What are the key properties of 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde?
1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 260.08 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-nitrophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 134179684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).