2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine

C10H13ClN2O2 — CID 81137320

IUPAC2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(C(C)C(C)Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-6-4-5-9(13(14)15)10(12-6)7(2)8(3)11/h4-5,7-8H,1-3H3
InChIKeyPYNXKHRHLLTZPR-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine

2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine (PubChem CID 81137320) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
PubChem CID81137320
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(C(C)C(C)Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-6-4-5-9(13(14)15)10(12-6)7(2)8(3)11/h4-5,7-8H,1-3H3
InChIKeyPYNXKHRHLLTZPR-UHFFFAOYSA-N
XLogP3.03
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.03
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

N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
CID 81137765
4-methyl-3-(6-methyl-3-nitro-2-pyridinyl)pentan-2-one
CID 81137315
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
6-chloro-3-nitro-2-propan-2-ylpyridine
CID 79079026
2-(2-bromopropyl)-6-methyl-3-nitropyridine
CID 81137414
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
2-(4-chlorobutan-2-ylsulfanyl)-6-methyl-3-nitropyridine
CID 81136329
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
CID 81137768
2-methyl-5-nitroquinolin-8-amine
CID 114289442
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
2-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 115715221
2-(2-bromo-3,3-dimethylbutyl)-6-methyl-3-nitropyridine
CID 81137590

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine?
The IUPAC name of 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine (CID 81137320) is 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine?
The canonical SMILES for 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(C(C)C(C)Cl)n1.
What is the InChIKey of 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine?
The InChIKey is PYNXKHRHLLTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-4-5-9(13(14)15)10(12-6)7(2)8(3)11/h4-5,7-8H,1-3H3.
What are the key properties of 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine?
2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine has a molecular weight of 228.68 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine is sourced from PubChem (CID 81137320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).