1-hydroxy-5-methyl-3-nitro-2H-pyridine

C6H8N2O3 — CID 67457839

IUPAC1-hydroxy-5-methyl-3-nitro-2H-pyridine
SMILESCC1=CN(O)CC([N+](=O)[O-])=C1
InChIInChI=1S/C6H8N2O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-3,9H,4H2,1H3
InChIKeyUWXQRPUGZYLAGL-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.76
Rot. Bonds1

About 1-hydroxy-5-methyl-3-nitro-2H-pyridine

1-hydroxy-5-methyl-3-nitro-2H-pyridine (PubChem CID 67457839) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-3-nitro-2H-pyridine.

Molecular Properties

Compound Name1-hydroxy-5-methyl-3-nitro-2H-pyridine
PubChem CID67457839
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-hydroxy-5-methyl-3-nitro-2H-pyridine
SMILESCC1=CN(O)CC([N+](=O)[O-])=C1
InChIInChI=1S/C6H8N2O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-3,9H,4H2,1H3
InChIKeyUWXQRPUGZYLAGL-UHFFFAOYSA-N
XLogP0.76
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.76
H-Bond Donors ≤ 51
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

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CID 163790819
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ethane;2-methyl-5-nitrocyclohexa-1,5-diene-1-carboxylic acid
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6-methoxy-3-nitro-2H-pyridin-1-amine
CID 150073959
6,14-dimethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 25228201
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CID 123419787
2-methyl-8-nitro-1,7-dihydropyrano[3,2-e]isoindol-3-one
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3-nitrocyclopent-2-en-1-one
CID 12657513
2-ethyl-1-hydroxy-3,3-dimethyl-6-nitro-2H-indole
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2-bromo-1-hydroxy-6-methyl-4-nitro-2H-pyridine
CID 144511648
1-methyl-3-nitrocyclopenta-1,3-diene
CID 59035933
1-nitrocyclooctene
CID 54042772

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-3-nitro-2H-pyridine?
The IUPAC name of 1-hydroxy-5-methyl-3-nitro-2H-pyridine (CID 67457839) is 1-hydroxy-5-methyl-3-nitro-2H-pyridine.
What is the SMILES notation for 1-hydroxy-5-methyl-3-nitro-2H-pyridine?
The canonical SMILES for 1-hydroxy-5-methyl-3-nitro-2H-pyridine is CC1=CN(O)CC([N+](=O)[O-])=C1.
What is the InChIKey of 1-hydroxy-5-methyl-3-nitro-2H-pyridine?
The InChIKey is UWXQRPUGZYLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-3,9H,4H2,1H3.
What are the key properties of 1-hydroxy-5-methyl-3-nitro-2H-pyridine?
1-hydroxy-5-methyl-3-nitro-2H-pyridine has a molecular weight of 156.14 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-3-nitro-2H-pyridine is sourced from PubChem (CID 67457839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).