2-methylpyridine;nitric acid

C6H8N2O3 — CID 134537856

IUPAC2-methylpyridine;nitric acid
SMILESCc1ccccn1.O=[N+]([O-])O
InChIInChI=1S/C6H7N.HNO3/c1-6-4-2-3-5-7-6;2-1(3)4/h2-5H,1H3;(H,2,3,4)
InChIKeyKFMKMNYDUUCWLN-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.04
Rot. Bonds

About 2-methylpyridine;nitric acid

2-methylpyridine;nitric acid (PubChem CID 134537856) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-methylpyridine;nitric acid.

Molecular Properties

Compound Name2-methylpyridine;nitric acid
PubChem CID134537856
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-methylpyridine;nitric acid
SMILESCc1ccccn1.O=[N+]([O-])O
InChIInChI=1S/C6H7N.HNO3/c1-6-4-2-3-5-7-6;2-1(3)4/h2-5H,1H3;(H,2,3,4)
InChIKeyKFMKMNYDUUCWLN-UHFFFAOYSA-N
XLogP1.04
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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dibromonickel;2-methylpyridine
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2-methylpyridine;pyridine
CID 19753594
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
ethane;2-methylpyridine;toluene
CID 143164268
butane;2-methylpyridine;propane
CID 171077595
CID 158064055
CID 158064055
anthracene-9,10-dione;2-methylpyridine;hydrobromide
CID 67625699
ethane;2-methylpyridine;phenol;yttrium
CID 171083522
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CID 158048361

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;nitric acid?
The IUPAC name of 2-methylpyridine;nitric acid (CID 134537856) is 2-methylpyridine;nitric acid.
What is the SMILES notation for 2-methylpyridine;nitric acid?
The canonical SMILES for 2-methylpyridine;nitric acid is Cc1ccccn1.O=[N+]([O-])O.
What is the InChIKey of 2-methylpyridine;nitric acid?
The InChIKey is KFMKMNYDUUCWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.HNO3/c1-6-4-2-3-5-7-6;2-1(3)4/h2-5H,1H3;(H,2,3,4).
What are the key properties of 2-methylpyridine;nitric acid?
2-methylpyridine;nitric acid has a molecular weight of 156.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;nitric acid is sourced from PubChem (CID 134537856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).