(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol

C14H14N2O5 — CID 21459111

IUPAC(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol
SMILESCOc1cc(C(O)c2ccccn2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C14H14N2O5/c1-20-12-8-9(7-11(16(18)19)14(12)21-2)13(17)10-5-3-4-6-15-10/h3-8,13,17H,1-2H3
InChIKeyMOSJYSFSEXAXEM-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.09
Rot. Bonds5

About (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol

(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol (PubChem CID 21459111) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol
PubChem CID21459111
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol
SMILESCOc1cc(C(O)c2ccccn2)cc([N+](=O)[O-])c1OC
InChIInChI=1S/C14H14N2O5/c1-20-12-8-9(7-11(16(18)19)14(12)21-2)13(17)10-5-3-4-6-15-10/h3-8,13,17H,1-2H3
InChIKeyMOSJYSFSEXAXEM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
1H-benzimidazol-2-yl-(3,4-dimethoxy-5-nitrophenyl)methanol
CID 21459115
2-amino-1-(3,4-dimethoxy-5-nitrophenyl)ethanol
CID 116987737
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55881341
5-(dimethoxymethyl)-1,2-dimethoxy-3-nitrobenzene
CID 118565953
(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789
(S)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481788

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol?
The IUPAC name of (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol (CID 21459111) is (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol.
What is the SMILES notation for (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol?
The canonical SMILES for (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol is COc1cc(C(O)c2ccccn2)cc([N+](=O)[O-])c1OC.
What is the InChIKey of (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol?
The InChIKey is MOSJYSFSEXAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-12-8-9(7-11(16(18)19)14(12)21-2)13(17)10-5-3-4-6-15-10/h3-8,13,17H,1-2H3.
What are the key properties of (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol?
(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol has a molecular weight of 290.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol is sourced from PubChem (CID 21459111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).