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

C7H8ClN3O3 — CID 103888263

IUPAC2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCO)c1
InChIInChI=1S/C7H8ClN3O3/c8-6-3-5(11(13)14)4-7(10-6)9-1-2-12/h3-4,12H,1-2H2,(H,9,10)
InChIKeySACWPHNJECFMPV-UHFFFAOYSA-N
MW217.61 g/mol
LogP1.05
Rot. Bonds4

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

2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol (PubChem CID 103888263) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
PubChem CID103888263
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Name2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCO)c1
InChIInChI=1S/C7H8ClN3O3/c8-6-3-5(11(13)14)4-7(10-6)9-1-2-12/h3-4,12H,1-2H2,(H,9,10)
InChIKeySACWPHNJECFMPV-UHFFFAOYSA-N
XLogP1.05
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
CID 103889042
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol (CID 103888263) is 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol is O=[N+]([O-])c1cc(Cl)nc(NCCO)c1.
What is the InChIKey of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is SACWPHNJECFMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3/c8-6-3-5(11(13)14)4-7(10-6)9-1-2-12/h3-4,12H,1-2H2,(H,9,10).
What are the key properties of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol?
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 217.61 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 103888263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).