4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol

C11H8ClN3O3 — CID 70584439

IUPAC4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
SMILESO=[N+]([O-])c1cc(Cl)cnc1Nc1ccc(O)cc1
InChIInChI=1S/C11H8ClN3O3/c12-7-5-10(15(17)18)11(13-6-7)14-8-1-3-9(16)4-2-8/h1-6,16H,(H,13,14)
InChIKeyLECWSZJVSYKNKK-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.09
Rot. Bonds3

About 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol

4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol (PubChem CID 70584439) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol.

Molecular Properties

Compound Name4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
PubChem CID70584439
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
SMILESO=[N+]([O-])c1cc(Cl)cnc1Nc1ccc(O)cc1
InChIInChI=1S/C11H8ClN3O3/c12-7-5-10(15(17)18)11(13-6-7)14-8-1-3-9(16)4-2-8/h1-6,16H,(H,13,14)
InChIKeyLECWSZJVSYKNKK-UHFFFAOYSA-N
XLogP3.09
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
N-(5-chloro-3-nitro-2-pyridinyl)-1,3-thiazol-5-amine
CID 110176124
4-N-(5-methyl-3-nitro-2-pyridinyl)benzene-1,4-diamine
CID 66279805
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
N-(4-tert-butylphenyl)-3,5-dinitropyridin-2-amine
CID 87349158
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
CID 3097917
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-nitropyridin-2-amine
CID 116650583
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide
CID 133497231
5-bromo-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375081
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol?
The IUPAC name of 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol (CID 70584439) is 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol.
What is the SMILES notation for 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol?
The canonical SMILES for 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol is O=[N+]([O-])c1cc(Cl)cnc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol?
The InChIKey is LECWSZJVSYKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-5-10(15(17)18)11(13-6-7)14-8-1-3-9(16)4-2-8/h1-6,16H,(H,13,14).
What are the key properties of 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol?
4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol has a molecular weight of 265.66 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol is sourced from PubChem (CID 70584439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).