2-chloro-4,6-dicyclopropyl-3-nitropyridine

C11H11ClN2O2 — CID 164662694

IUPAC2-chloro-4,6-dicyclopropyl-3-nitropyridine
SMILESO=[N+]([O-])c1c(C2CC2)cc(C2CC2)nc1Cl
InChIInChI=1S/C11H11ClN2O2/c12-11-10(14(15)16)8(6-1-2-6)5-9(13-11)7-3-4-7/h5-7H,1-4H2
InChIKeyPIRYXBYVXQTLAV-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.40
Rot. Bonds3

About 2-chloro-4,6-dicyclopropyl-3-nitropyridine

2-chloro-4,6-dicyclopropyl-3-nitropyridine (PubChem CID 164662694) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-chloro-4,6-dicyclopropyl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-4,6-dicyclopropyl-3-nitropyridine
PubChem CID164662694
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-chloro-4,6-dicyclopropyl-3-nitropyridine
SMILESO=[N+]([O-])c1c(C2CC2)cc(C2CC2)nc1Cl
InChIInChI=1S/C11H11ClN2O2/c12-11-10(14(15)16)8(6-1-2-6)5-9(13-11)7-3-4-7/h5-7H,1-4H2
InChIKeyPIRYXBYVXQTLAV-UHFFFAOYSA-N
XLogP3.40
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.40
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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Related Compounds

2,4-dichloro-6-cyclopropyl-5-nitropyrimidine
CID 24903888
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
1,3-dichloro-4-nitroisoquinoline
CID 163932905
2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine
CID 174426160
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
methyl 2-chloro-6-cyclopropyl-3-fluoropyridine-4-carboxylate
CID 131511463
6-chloro-2-cyclopropyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82459024
N-butan-2-yl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459020
N-butyl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459009
3-chloro-4-nitro-5-(oxan-4-yl)-1H-pyrazole
CID 165493211
6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82459022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dicyclopropyl-3-nitropyridine?
The IUPAC name of 2-chloro-4,6-dicyclopropyl-3-nitropyridine (CID 164662694) is 2-chloro-4,6-dicyclopropyl-3-nitropyridine.
What is the SMILES notation for 2-chloro-4,6-dicyclopropyl-3-nitropyridine?
The canonical SMILES for 2-chloro-4,6-dicyclopropyl-3-nitropyridine is O=[N+]([O-])c1c(C2CC2)cc(C2CC2)nc1Cl.
What is the InChIKey of 2-chloro-4,6-dicyclopropyl-3-nitropyridine?
The InChIKey is PIRYXBYVXQTLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-11-10(14(15)16)8(6-1-2-6)5-9(13-11)7-3-4-7/h5-7H,1-4H2.
What are the key properties of 2-chloro-4,6-dicyclopropyl-3-nitropyridine?
2-chloro-4,6-dicyclopropyl-3-nitropyridine has a molecular weight of 238.67 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dicyclopropyl-3-nitropyridine is sourced from PubChem (CID 164662694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).