2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine

C12H15ClN2O2 — CID 174426160

IUPAC2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine
SMILESCc1c(C2CCCCC2)cnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O2/c1-8-10(9-5-3-2-4-6-9)7-14-12(13)11(8)15(16)17/h7,9H,2-6H2,1H3
InChIKeyUVCHAPORIHJGNI-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine

2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine (PubChem CID 174426160) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine
PubChem CID174426160
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine
SMILESCc1c(C2CCCCC2)cnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O2/c1-8-10(9-5-3-2-4-6-9)7-14-12(13)11(8)15(16)17/h7,9H,2-6H2,1H3
InChIKeyUVCHAPORIHJGNI-UHFFFAOYSA-N
XLogP4.00
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-5-cyclohexyl-4-methyl-3-nitropyridine?
The IUPAC name of 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine (CID 174426160) is 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine.
What is the SMILES notation for 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine?
The canonical SMILES for 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine is Cc1c(C2CCCCC2)cnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine?
The InChIKey is UVCHAPORIHJGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-10(9-5-3-2-4-6-9)7-14-12(13)11(8)15(16)17/h7,9H,2-6H2,1H3.
What are the key properties of 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine?
2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine has a molecular weight of 254.72 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine is sourced from PubChem (CID 174426160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).