2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine

C11H13ClN2O2 — CID 81137768

IUPAC2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(CC(Cl)C2CC2)n1
InChIInChI=1S/C11H13ClN2O2/c1-7-2-5-11(14(15)16)10(13-7)6-9(12)8-3-4-8/h2,5,8-9H,3-4,6H2,1H3
InChIKeyYUMAARLJGGGZOR-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine

2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine (PubChem CID 81137768) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
PubChem CID81137768
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(CC(Cl)C2CC2)n1
InChIInChI=1S/C11H13ClN2O2/c1-7-2-5-11(14(15)16)10(13-7)6-9(12)8-3-4-8/h2,5,8-9H,3-4,6H2,1H3
InChIKeyYUMAARLJGGGZOR-UHFFFAOYSA-N
XLogP2.86
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(2-chloro-2-cyclopropylethyl)-3-nitropyridine
CID 63353206
2-(2-bromopropyl)-6-methyl-3-nitropyridine
CID 81137414
2-(2-bromo-3,3-dimethylbutyl)-6-methyl-3-nitropyridine
CID 81137590
2-(2-chloro-2-cyclopropylethyl)-1-methyl-3-nitrobenzene
CID 115554188
1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
CID 115323510
5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
CID 55189970
8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 81137677
1-(2-chloro-2-cyclopropylethyl)-4-methoxy-2-nitrobenzene
CID 63353069
1-(2-chloro-2-cyclopropylethyl)-4-fluoro-2-nitrobenzene
CID 63352830
2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
CID 81137320
4-chloro-2-(3-chloro-3-cyclopropylpropyl)-1-nitrobenzene
CID 79580938

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine?
The IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine (CID 81137768) is 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine?
The canonical SMILES for 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(CC(Cl)C2CC2)n1.
What is the InChIKey of 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine?
The InChIKey is YUMAARLJGGGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-2-5-11(14(15)16)10(13-7)6-9(12)8-3-4-8/h2,5,8-9H,3-4,6H2,1H3.
What are the key properties of 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine?
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine has a molecular weight of 240.69 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine is sourced from PubChem (CID 81137768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).