2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol

C10H16N4O4 — CID 114071256

IUPAC2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H16N4O4/c1-18-5-3-13(2-4-15)10-7-8(14(16)17)6-9(11)12-10/h6-7,15H,2-5H2,1H3,(H2,11,12)
InChIKeyUDTIJRBZWSQOMW-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.02
Rot. Bonds7

About 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol

2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol (PubChem CID 114071256) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol
PubChem CID114071256
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)c1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C10H16N4O4/c1-18-5-3-13(2-4-15)10-7-8(14(16)17)6-9(11)12-10/h6-7,15H,2-5H2,1H3,(H2,11,12)
InChIKeyUDTIJRBZWSQOMW-UHFFFAOYSA-N
XLogP0.02
TPSA114.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-(2-methoxyethyl)amino]ethanol
CID 102719240
3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 114071132
2-[2-chloro-N-(2-methoxyethyl)-4-nitroanilino]ethanol
CID 115672534
4-N,4-N-bis(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 80794923
6-N-ethyl-6-N-(2-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071217
2-[4-bromo-N-(2-methoxyethyl)-2-nitroanilino]ethanol
CID 115672573
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine
CID 114071350
2-[2-methoxyethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 113468505
N,N-bis(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-amine
CID 142441569
2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114565799
2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
CID 61425481

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol (CID 114071256) is 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol is COCCN(CCO)c1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol?
The InChIKey is UDTIJRBZWSQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-18-5-3-13(2-4-15)10-7-8(14(16)17)6-9(11)12-10/h6-7,15H,2-5H2,1H3,(H2,11,12).
What are the key properties of 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol?
2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol has a molecular weight of 256.26 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4-nitro-2-pyridinyl)-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 114071256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).