2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine

C11H11ClN2O2 — CID 23659336

IUPAC2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine
SMILESO=[N+]([O-])c1c(C2C=CCCC2)ccnc1Cl
InChIInChI=1S/C11H11ClN2O2/c12-11-10(14(15)16)9(6-7-13-11)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2
InChIKeyYENLGHZFMYHPRD-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine

2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine (PubChem CID 23659336) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine
PubChem CID23659336
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine
SMILESO=[N+]([O-])c1c(C2C=CCCC2)ccnc1Cl
InChIInChI=1S/C11H11ClN2O2/c12-11-10(14(15)16)9(6-7-13-11)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2
InChIKeyYENLGHZFMYHPRD-UHFFFAOYSA-N
XLogP3.47
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine?
The IUPAC name of 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine (CID 23659336) is 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine.
What is the SMILES notation for 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine?
The canonical SMILES for 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine is O=[N+]([O-])c1c(C2C=CCCC2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine?
The InChIKey is YENLGHZFMYHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-11-10(14(15)16)9(6-7-13-11)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2.
What are the key properties of 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine?
2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine has a molecular weight of 238.67 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohex-2-en-1-yl-3-nitropyridine is sourced from PubChem (CID 23659336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).