6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine

C8H11N3O3 — CID 53407025

IUPAC6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(N(C)C)n1
InChIInChI=1S/C8H11N3O3/c1-10(2)8-6(11(12)13)4-5-7(9-8)14-3/h4-5H,1-3H3
InChIKeyHHRZQOYIWSFDLC-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.06
Rot. Bonds3

About 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine

6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine (PubChem CID 53407025) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
PubChem CID53407025
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(N(C)C)n1
InChIInChI=1S/C8H11N3O3/c1-10(2)8-6(11(12)13)4-5-7(9-8)14-3/h4-5H,1-3H3
InChIKeyHHRZQOYIWSFDLC-UHFFFAOYSA-N
XLogP1.06
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine
CID 113286974
3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
CID 69333966
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]butan-2-ol
CID 113252246
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384
CID 157299402
CID 157299402
6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 154749946
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
3-[(6-methoxy-3-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115323357
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 115321251
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
CID 115323291

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine (CID 53407025) is 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(N(C)C)n1.
What is the InChIKey of 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine?
The InChIKey is HHRZQOYIWSFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10(2)8-6(11(12)13)4-5-7(9-8)14-3/h4-5H,1-3H3.
What are the key properties of 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine?
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine has a molecular weight of 197.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine is sourced from PubChem (CID 53407025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).