6-chloro-3-nitro-2-propan-2-ylpyridine

C8H9ClN2O2 — CID 79079026

IUPAC6-chloro-3-nitro-2-propan-2-ylpyridine
SMILESCC(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O2/c1-5(2)8-6(11(12)13)3-4-7(9)10-8/h3-5H,1-2H3
InChIKeyCGGVSVLPQQDNAW-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.77
Rot. Bonds2

About 6-chloro-3-nitro-2-propan-2-ylpyridine

6-chloro-3-nitro-2-propan-2-ylpyridine (PubChem CID 79079026) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-propan-2-ylpyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-propan-2-ylpyridine
PubChem CID79079026
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name6-chloro-3-nitro-2-propan-2-ylpyridine
SMILESCC(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O2/c1-5(2)8-6(11(12)13)3-4-7(9)10-8/h3-5H,1-2H3
InChIKeyCGGVSVLPQQDNAW-UHFFFAOYSA-N
XLogP2.77
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.77
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

6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
6-chloro-2-(3-methylbutan-2-ylsulfanyl)-3-nitropyridine
CID 107751113
6-chloro-2-iodo-3-nitropyridine
CID 130882718
3-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770921
6-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 104829509
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 43500336
6-chloro-3-nitro-2-propylpyridine
CID 20822926
2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
CID 81137320
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-propan-2-ylpyridine?
The IUPAC name of 6-chloro-3-nitro-2-propan-2-ylpyridine (CID 79079026) is 6-chloro-3-nitro-2-propan-2-ylpyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-propan-2-ylpyridine?
The canonical SMILES for 6-chloro-3-nitro-2-propan-2-ylpyridine is CC(C)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-2-propan-2-ylpyridine?
The InChIKey is CGGVSVLPQQDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(2)8-6(11(12)13)3-4-7(9)10-8/h3-5H,1-2H3.
What are the key properties of 6-chloro-3-nitro-2-propan-2-ylpyridine?
6-chloro-3-nitro-2-propan-2-ylpyridine has a molecular weight of 200.62 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-propan-2-ylpyridine is sourced from PubChem (CID 79079026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).