[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol

C13H12N2O4 — CID 69259295

IUPAC[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(CO)nc1
InChIInChI=1S/C13H12N2O4/c1-9-6-11(15(17)18)3-5-13(9)19-12-4-2-10(8-16)14-7-12/h2-7,16H,8H2,1H3
InChIKeyWASWBVNYQQENEY-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.58
Rot. Bonds4

About [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol

[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol (PubChem CID 69259295) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
PubChem CID69259295
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(CO)nc1
InChIInChI=1S/C13H12N2O4/c1-9-6-11(15(17)18)3-5-13(9)19-12-4-2-10(8-16)14-7-12/h2-7,16H,8H2,1H3
InChIKeyWASWBVNYQQENEY-UHFFFAOYSA-N
XLogP2.58
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 167459315
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
[5-(4-amino-2-methylphenoxy)-2-pyridinyl]methanol
CID 69490375
[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol
CID 79799534
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
[2-methyl-1-[4-(2-methyl-4-nitrophenoxy)phenyl]propan-2-yl]carbamic acid
CID 90686642
[2-(4-bromo-2-methylphenoxy)-5-nitrophenyl]methanol
CID 63216881
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
CID 106933183
(1R)-1-[5-[2-methyl-4-[(6-nitroquinazolin-4-yl)amino]phenoxy]-2-pyridinyl]ethane-1,2-diol
CID 162431881

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol (CID 69259295) is [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol is Cc1cc([N+](=O)[O-])ccc1Oc1ccc(CO)nc1.
What is the InChIKey of [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol?
The InChIKey is WASWBVNYQQENEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-9-6-11(15(17)18)3-5-13(9)19-12-4-2-10(8-16)14-7-12/h2-7,16H,8H2,1H3.
What are the key properties of [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol?
[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol has a molecular weight of 260.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 69259295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).