(2-methyl-4-pyridinyl) nitrate

C6H6N2O3 — CID 91620911

IUPAC(2-methyl-4-pyridinyl) nitrate
SMILESCc1cc(O[N+](=O)[O-])ccn1
InChIInChI=1S/C6H6N2O3/c1-5-4-6(2-3-7-5)11-8(9)10/h2-4H,1H3
InChIKeySDIKECFPJMFNMP-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.96
Rot. Bonds2

About (2-methyl-4-pyridinyl) nitrate

(2-methyl-4-pyridinyl) nitrate (PubChem CID 91620911) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl) nitrate.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl) nitrate
PubChem CID91620911
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name(2-methyl-4-pyridinyl) nitrate
SMILESCc1cc(O[N+](=O)[O-])ccn1
InChIInChI=1S/C6H6N2O3/c1-5-4-6(2-3-7-5)11-8(9)10/h2-4H,1H3
InChIKeySDIKECFPJMFNMP-UHFFFAOYSA-N
XLogP0.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
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

(2-methyl-4-pyridinyl) carbonochloridate
CID 57252286
2-methyl-4-(2-methylprop-2-enoxy)pyridine
CID 127009570
4-[dichloro(nitro)methyl]-2-methylpyridine
CID 119091727
4-[bromo(nitro)methyl]-2-methylpyridine
CID 119090074
4-(2,2-dimethylpropoxy)-2-methylpyridine
CID 135279378
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine
CID 146419745
(4-sulfanylphenyl) nitrate
CID 126638144
4-cyclobutyloxy-2-methylpyridine
CID 70661228
2-methylpyridine;nitric acid
CID 134537856
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
4-(isothiocyanatomethoxy)-2-methylpyridine
CID 143837425
1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol
CID 166610446

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl) nitrate?
The IUPAC name of (2-methyl-4-pyridinyl) nitrate (CID 91620911) is (2-methyl-4-pyridinyl) nitrate.
What is the SMILES notation for (2-methyl-4-pyridinyl) nitrate?
The canonical SMILES for (2-methyl-4-pyridinyl) nitrate is Cc1cc(O[N+](=O)[O-])ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl) nitrate?
The InChIKey is SDIKECFPJMFNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-5-4-6(2-3-7-5)11-8(9)10/h2-4H,1H3.
What are the key properties of (2-methyl-4-pyridinyl) nitrate?
(2-methyl-4-pyridinyl) nitrate has a molecular weight of 154.12 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyridinyl) nitrate is sourced from PubChem (CID 91620911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).