6-methoxy-3-nitro-2-propan-2-ylpyridine

C9H12N2O3 — CID 146296357

IUPAC6-methoxy-3-nitro-2-propan-2-ylpyridine
SMILESCOc1ccc([N+](=O)[O-])c(C(C)C)n1
InChIInChI=1S/C9H12N2O3/c1-6(2)9-7(11(12)13)4-5-8(10-9)14-3/h4-6H,1-3H3
InChIKeyKENNLRSNDFMPIR-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.12
Rot. Bonds3

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

6-methoxy-3-nitro-2-propan-2-ylpyridine (PubChem CID 146296357) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-propan-2-ylpyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-propan-2-ylpyridine
PubChem CID146296357
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6-methoxy-3-nitro-2-propan-2-ylpyridine
SMILESCOc1ccc([N+](=O)[O-])c(C(C)C)n1
InChIInChI=1S/C9H12N2O3/c1-6(2)9-7(11(12)13)4-5-8(10-9)14-3/h4-6H,1-3H3
InChIKeyKENNLRSNDFMPIR-UHFFFAOYSA-N
XLogP2.12
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384
6-chloro-3-nitro-2-propan-2-ylpyridine
CID 79079026
CID 157299402
CID 157299402
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
S-[2,3-dihydroxy-3-(6-methoxy-3-nitro-2-pyridinyl)propyl] ethanethioate
CID 170822580
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
CID 115323531
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-propan-2-ylpyridine?
The IUPAC name of 6-methoxy-3-nitro-2-propan-2-ylpyridine (CID 146296357) is 6-methoxy-3-nitro-2-propan-2-ylpyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-propan-2-ylpyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-propan-2-ylpyridine is COc1ccc([N+](=O)[O-])c(C(C)C)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-propan-2-ylpyridine?
The InChIKey is KENNLRSNDFMPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(2)9-7(11(12)13)4-5-8(10-9)14-3/h4-6H,1-3H3.
What are the key properties of 6-methoxy-3-nitro-2-propan-2-ylpyridine?
6-methoxy-3-nitro-2-propan-2-ylpyridine has a molecular weight of 196.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-propan-2-ylpyridine is sourced from PubChem (CID 146296357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).