ethane;6-(4-nitrophenyl)pyridin-3-ol

C13H14N2O3 — CID 144843001

IUPACethane;6-(4-nitrophenyl)pyridin-3-ol
SMILESCC.O=[N+]([O-])c1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C11H8N2O3.C2H6/c14-10-5-6-11(12-7-10)8-1-3-9(4-2-8)13(15)16;1-2/h1-7,14H;1-2H3
InChIKeySNGUXQCDAIPNLC-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.39
Rot. Bonds2

About ethane;6-(4-nitrophenyl)pyridin-3-ol

ethane;6-(4-nitrophenyl)pyridin-3-ol (PubChem CID 144843001) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethane;6-(4-nitrophenyl)pyridin-3-ol.

Molecular Properties

Compound Nameethane;6-(4-nitrophenyl)pyridin-3-ol
PubChem CID144843001
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethane;6-(4-nitrophenyl)pyridin-3-ol
SMILESCC.O=[N+]([O-])c1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C11H8N2O3.C2H6/c14-10-5-6-11(12-7-10)8-1-3-9(4-2-8)13(15)16;1-2/h1-7,14H;1-2H3
InChIKeySNGUXQCDAIPNLC-UHFFFAOYSA-N
XLogP3.39
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
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

5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
4-nitrophenol
CID 88714583
4-methylphenol;4-nitrophenol
CID 68529378
4-nitrophenol;phosphane
CID 157153413
4-nitrophenol;propan-2-one
CID 18924338
calcium;hydride;4-nitrophenol
CID 173414286
1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
CID 174654711
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
CID 66490091

Frequently Asked Questions

What is the IUPAC name of ethane;6-(4-nitrophenyl)pyridin-3-ol?
The IUPAC name of ethane;6-(4-nitrophenyl)pyridin-3-ol (CID 144843001) is ethane;6-(4-nitrophenyl)pyridin-3-ol.
What is the SMILES notation for ethane;6-(4-nitrophenyl)pyridin-3-ol?
The canonical SMILES for ethane;6-(4-nitrophenyl)pyridin-3-ol is CC.O=[N+]([O-])c1ccc(-c2ccc(O)cn2)cc1.
What is the InChIKey of ethane;6-(4-nitrophenyl)pyridin-3-ol?
The InChIKey is SNGUXQCDAIPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3.C2H6/c14-10-5-6-11(12-7-10)8-1-3-9(4-2-8)13(15)16;1-2/h1-7,14H;1-2H3.
What are the key properties of ethane;6-(4-nitrophenyl)pyridin-3-ol?
ethane;6-(4-nitrophenyl)pyridin-3-ol has a molecular weight of 246.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(4-nitrophenyl)pyridin-3-ol is sourced from PubChem (CID 144843001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).