2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine

C10H10N2O4 — CID 130268947

IUPAC2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
SMILESCOCC#Cc1ccc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C10H10N2O4/c1-15-7-3-4-8-5-6-9(12(13)14)10(11-8)16-2/h5-6H,7H2,1-2H3
InChIKeyNALXZDVOINIWTI-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.00
Rot. Bonds3

About 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine

2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine (PubChem CID 130268947) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine.

Molecular Properties

Compound Name2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
PubChem CID130268947
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
SMILESCOCC#Cc1ccc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C10H10N2O4/c1-15-7-3-4-8-5-6-9(12(13)14)10(11-8)16-2/h5-6H,7H2,1-2H3
InChIKeyNALXZDVOINIWTI-UHFFFAOYSA-N
XLogP1.00
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.00
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine
CID 168931998
6-methoxy-5-nitropyridine-2-carboxamide
CID 55252610
6-(4-chlorobut-1-ynyl)-2-methyl-3-nitropyridine
CID 170468087
N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 69485063
5-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carbonitrile
CID 134674457
trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
CID 53484335
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
CID 118832128
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
2-bromo-3,6-dimethoxy-5-nitropyridine
CID 172541269
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine?
The IUPAC name of 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine (CID 130268947) is 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine.
What is the SMILES notation for 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine?
The canonical SMILES for 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine is COCC#Cc1ccc([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine?
The InChIKey is NALXZDVOINIWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-7-3-4-8-5-6-9(12(13)14)10(11-8)16-2/h5-6H,7H2,1-2H3.
What are the key properties of 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine?
2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine has a molecular weight of 222.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine is sourced from PubChem (CID 130268947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).