2-(4-methoxy-2-pyridinyl)-4-nitrophenol

C12H10N2O4 — CID 135847666

IUPAC2-(4-methoxy-2-pyridinyl)-4-nitrophenol
SMILESCOc1ccnc(-c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C12H10N2O4/c1-18-9-4-5-13-11(7-9)10-6-8(14(16)17)2-3-12(10)15/h2-7,15H,1H3
InChIKeyQXIDDWQBJBULIH-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-methoxy-2-pyridinyl)-4-nitrophenol

2-(4-methoxy-2-pyridinyl)-4-nitrophenol (PubChem CID 135847666) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(4-methoxy-2-pyridinyl)-4-nitrophenol.

Molecular Properties

Compound Name2-(4-methoxy-2-pyridinyl)-4-nitrophenol
PubChem CID135847666
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(4-methoxy-2-pyridinyl)-4-nitrophenol
SMILESCOc1ccnc(-c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C12H10N2O4/c1-18-9-4-5-13-11(7-9)10-6-8(14(16)17)2-3-12(10)15/h2-7,15H,1H3
InChIKeyQXIDDWQBJBULIH-UHFFFAOYSA-N
XLogP2.37
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.37
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

4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
CID 136954896
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine
CID 141478928
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
ethane;2-methoxy-4-nitrophenol
CID 91188946
2-(2-hydroxy-4-methoxyphenyl)-5-nitrobenzoic acid
CID 102343962
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-nitrophenol
CID 118720095
2-(2,4-dinitroanilino)-4-methoxyphenol
CID 86702715
4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde
CID 18667545
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
CID 151360261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-pyridinyl)-4-nitrophenol?
The IUPAC name of 2-(4-methoxy-2-pyridinyl)-4-nitrophenol (CID 135847666) is 2-(4-methoxy-2-pyridinyl)-4-nitrophenol.
What is the SMILES notation for 2-(4-methoxy-2-pyridinyl)-4-nitrophenol?
The canonical SMILES for 2-(4-methoxy-2-pyridinyl)-4-nitrophenol is COc1ccnc(-c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 2-(4-methoxy-2-pyridinyl)-4-nitrophenol?
The InChIKey is QXIDDWQBJBULIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-9-4-5-13-11(7-9)10-6-8(14(16)17)2-3-12(10)15/h2-7,15H,1H3.
What are the key properties of 2-(4-methoxy-2-pyridinyl)-4-nitrophenol?
2-(4-methoxy-2-pyridinyl)-4-nitrophenol has a molecular weight of 246.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-pyridinyl)-4-nitrophenol is sourced from PubChem (CID 135847666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).