[6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate

C14H14N2O5 — CID 165430678

IUPAC[6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate
SMILESCc1c(O)cccc1OCc1cccc(CO[N+](=O)[O-])n1
InChIInChI=1S/C14H14N2O5/c1-10-13(17)6-3-7-14(10)20-8-11-4-2-5-12(15-11)9-21-16(18)19/h2-7,17H,8-9H2,1H3
InChIKeyHATXSLFGYGTJIL-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.38
Rot. Bonds6

About [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate

[6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate (PubChem CID 165430678) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate.

Molecular Properties

Compound Name[6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate
PubChem CID165430678
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate
SMILESCc1c(O)cccc1OCc1cccc(CO[N+](=O)[O-])n1
InChIInChI=1S/C14H14N2O5/c1-10-13(17)6-3-7-14(10)20-8-11-4-2-5-12(15-11)9-21-16(18)19/h2-7,17H,8-9H2,1H3
InChIKeyHATXSLFGYGTJIL-UHFFFAOYSA-N
XLogP2.38
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[(2-Methyl-6-Phenylpyridin-4-Yl)oxy]phenol
CID 71462587
7-hydroxy-4-(2-(6-methylpyridin-2-yloxy)ethyl)-2H-chromen-2-one
CID 46225004
Phenol, 3-(2-quinolinylmethoxy)-
CID 10988736
5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol
CID 162663927
2-Fluoro-5-[[6-(2-methoxyphenyl)-2-pyridinyl]oxy]phenol
CID 166625220
2-Fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol
CID 166631056
[6-[(4-Methoxy-2-methylphenoxy)methyl]-2-pyridinyl]methanol
CID 137349432
3-[[6-(Hydroxymethyl)-2-pyridinyl]methoxy]-2-methylphenol
CID 155804561
3-Benzyloxy-2,6-bis(hydroxymethyl)pyridine
CID 12397255
2,3-Dimethyl-6-(phenoxymethyl)pyridine
CID 17805137
2-Hydroxymethyl-3-benzylhydroxyl-6-(2'-nitro-1'-hydroxy)ethyl pyridine
CID 24728313
2-Amino-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
CID 134990468

Frequently Asked Questions

What is the IUPAC name of [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate?
The IUPAC name of [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate (CID 165430678) is [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate.
What is the SMILES notation for [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate?
The canonical SMILES for [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate is Cc1c(O)cccc1OCc1cccc(CO[N+](=O)[O-])n1.
What is the InChIKey of [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate?
The InChIKey is HATXSLFGYGTJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-10-13(17)6-3-7-14(10)20-8-11-4-2-5-12(15-11)9-21-16(18)19/h2-7,17H,8-9H2,1H3.
What are the key properties of [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate?
[6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate has a molecular weight of 290.28 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-hydroxy-2-methylphenoxy)methyl]-2-pyridinyl]methyl nitrate is sourced from PubChem (CID 165430678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).