[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol

C14H14N2O5 — CID 103201814

IUPAC[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCOc1ccc(Oc2ncc(CO)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O5/c1-9-5-10(8-17)7-15-14(9)21-11-3-4-13(20-2)12(6-11)16(18)19/h3-7,17H,8H2,1-2H3
InChIKeyHQNIFCRKHVOJHL-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.59
Rot. Bonds5

About [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol

[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol (PubChem CID 103201814) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
PubChem CID103201814
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCOc1ccc(Oc2ncc(CO)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O5/c1-9-5-10(8-17)7-15-14(9)21-11-3-4-13(20-2)12(6-11)16(18)19/h3-7,17H,8H2,1-2H3
InChIKeyHQNIFCRKHVOJHL-UHFFFAOYSA-N
XLogP2.59
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.59
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

5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628217
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
(5-methyl-6-naphthalen-2-yloxy-3-pyridinyl)methanol
CID 80629021
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633985
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol (CID 103201814) is [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol is COc1ccc(Oc2ncc(CO)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
The InChIKey is HQNIFCRKHVOJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9-5-10(8-17)7-15-14(9)21-11-3-4-13(20-2)12(6-11)16(18)19/h3-7,17H,8H2,1-2H3.
What are the key properties of [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol?
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol has a molecular weight of 290.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 103201814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).