4-(2-methyliminoethyl)-2-nitrophenol

C9H10N2O3 — CID 142095401

IUPAC4-(2-methyliminoethyl)-2-nitrophenol
SMILESC/N=C/Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O3/c1-10-5-4-7-2-3-9(12)8(6-7)11(13)14/h2-3,5-6,12H,4H2,1H3/b10-5+
InChIKeyBZAHTICXWYNFHX-BJMVGYQFSA-N
MW194.19 g/mol
LogP1.54
Rot. Bonds3

About 4-(2-methyliminoethyl)-2-nitrophenol

4-(2-methyliminoethyl)-2-nitrophenol (PubChem CID 142095401) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(2-methyliminoethyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(2-methyliminoethyl)-2-nitrophenol
PubChem CID142095401
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-(2-methyliminoethyl)-2-nitrophenol
SMILESC/N=C/Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O3/c1-10-5-4-7-2-3-9(12)8(6-7)11(13)14/h2-3,5-6,12H,4H2,1H3/b10-5+
InChIKeyBZAHTICXWYNFHX-BJMVGYQFSA-N
XLogP1.54
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-iminoethyl)-2-nitrophenol
CID 59095525
(4-hydroxy-3-nitrophenyl)methanesulfinate
CID 54515347
4-[(2S)-2-aminopropyl]-2-nitrophenol
CID 131031140
2-(4-hydroxy-3-nitrophenyl)ethanesulfinic acid
CID 54385439
2-nitro-4-octadecylphenol
CID 19847264
(4-hydroxy-3-nitrophenyl)methyl carbamimidothioate
CID 3523091
2-(4-hydroxy-3-nitrophenyl)ethanimidamide
CID 151168662
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-[(1-hydroxypropan-2-ylamino)methyl]-2-nitrophenol
CID 115656426
tert-butyl 2-(4-hydroxy-3-nitrophenyl)acetate
CID 19751054
4-[[methyl-[(2R)-1-methylsulfanylpropan-2-yl]amino]methyl]-2-nitrophenol
CID 97159922
2-nitro-4-[(2S)-3,3,3-trifluoro-2-(methylamino)propyl]phenol
CID 142924077

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyliminoethyl)-2-nitrophenol?
The IUPAC name of 4-(2-methyliminoethyl)-2-nitrophenol (CID 142095401) is 4-(2-methyliminoethyl)-2-nitrophenol.
What is the SMILES notation for 4-(2-methyliminoethyl)-2-nitrophenol?
The canonical SMILES for 4-(2-methyliminoethyl)-2-nitrophenol is C/N=C/Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-methyliminoethyl)-2-nitrophenol?
The InChIKey is BZAHTICXWYNFHX-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-5-4-7-2-3-9(12)8(6-7)11(13)14/h2-3,5-6,12H,4H2,1H3/b10-5+.
What are the key properties of 4-(2-methyliminoethyl)-2-nitrophenol?
4-(2-methyliminoethyl)-2-nitrophenol has a molecular weight of 194.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyliminoethyl)-2-nitrophenol is sourced from PubChem (CID 142095401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).