2-nitro-3-pyridin-3-ylphenol

C11H8N2O3 — CID 20564355

IUPAC2-nitro-3-pyridin-3-ylphenol
SMILESO=[N+]([O-])c1c(O)cccc1-c1cccnc1
InChIInChI=1S/C11H8N2O3/c14-10-5-1-4-9(11(10)13(15)16)8-3-2-6-12-7-8/h1-7,14H
InChIKeyMEULSJJYNFSMTG-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.36
Rot. Bonds2

About 2-nitro-3-pyridin-3-ylphenol

2-nitro-3-pyridin-3-ylphenol (PubChem CID 20564355) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-nitro-3-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-nitro-3-pyridin-3-ylphenol
PubChem CID20564355
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-nitro-3-pyridin-3-ylphenol
SMILESO=[N+]([O-])c1c(O)cccc1-c1cccnc1
InChIInChI=1S/C11H8N2O3/c14-10-5-1-4-9(11(10)13(15)16)8-3-2-6-12-7-8/h1-7,14H
InChIKeyMEULSJJYNFSMTG-UHFFFAOYSA-N
XLogP2.36
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.36
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

disilver;2,3-dipyridin-3-ylpyridine;dinitrate
CID 174813132
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
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lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
5-nitro-4-pyridin-3-ylquinoline
CID 175692098
2,4,6-trinitro-1-N,3-N,5-N-tris(4-pyridin-3-ylphenyl)benzene-1,3,5-triamine
CID 156756861
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine
CID 13414469
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
2-nitro-3-pyrimidin-5-ylbenzaldehyde
CID 170759857
cyclopenta[c]azepine
CID 638010
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
2-[2-(hydroxymethyl)-3-pyridin-3-ylphenyl]phenol
CID 173353814

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-pyridin-3-ylphenol?
The IUPAC name of 2-nitro-3-pyridin-3-ylphenol (CID 20564355) is 2-nitro-3-pyridin-3-ylphenol.
What is the SMILES notation for 2-nitro-3-pyridin-3-ylphenol?
The canonical SMILES for 2-nitro-3-pyridin-3-ylphenol is O=[N+]([O-])c1c(O)cccc1-c1cccnc1.
What is the InChIKey of 2-nitro-3-pyridin-3-ylphenol?
The InChIKey is MEULSJJYNFSMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10-5-1-4-9(11(10)13(15)16)8-3-2-6-12-7-8/h1-7,14H.
What are the key properties of 2-nitro-3-pyridin-3-ylphenol?
2-nitro-3-pyridin-3-ylphenol has a molecular weight of 216.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-pyridin-3-ylphenol is sourced from PubChem (CID 20564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).