1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol

C11H14N2O4 — CID 115323510

IUPAC1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
SMILESCOc1ccc([N+](=O)[O-])c(CC(O)C2CC2)n1
InChIInChI=1S/C11H14N2O4/c1-17-11-5-4-9(13(15)16)8(12-11)6-10(14)7-2-3-7/h4-5,7,10,14H,2-3,6H2,1H3
InChIKeyXATMZZALUNDRKS-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.31
Rot. Bonds5

About 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol

1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol (PubChem CID 115323510) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
PubChem CID115323510
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
SMILESCOc1ccc([N+](=O)[O-])c(CC(O)C2CC2)n1
InChIInChI=1S/C11H14N2O4/c1-17-11-5-4-9(13(15)16)8(12-11)6-10(14)7-2-3-7/h4-5,7,10,14H,2-3,6H2,1H3
InChIKeyXATMZZALUNDRKS-UHFFFAOYSA-N
XLogP1.31
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
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

2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
CID 115323531
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
1-(6-methoxy-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 115323472
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
CID 81137768
1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
CID 115323440
3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
CID 69333966
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
S-[2,3-dihydroxy-3-(6-methoxy-3-nitro-2-pyridinyl)propyl] ethanethioate
CID 170822580
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
CID 157299402
CID 157299402
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
CID 115323428

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol (CID 115323510) is 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol is COc1ccc([N+](=O)[O-])c(CC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol?
The InChIKey is XATMZZALUNDRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-11-5-4-9(13(15)16)8(12-11)6-10(14)7-2-3-7/h4-5,7,10,14H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol?
1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol has a molecular weight of 238.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol is sourced from PubChem (CID 115323510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).