3-[(4-nitro-3-pyridinyl)amino]phenol

C11H9N3O3 — CID 22164899

IUPAC3-[(4-nitro-3-pyridinyl)amino]phenol
SMILESO=[N+]([O-])c1ccncc1Nc1cccc(O)c1
InChIInChI=1S/C11H9N3O3/c15-9-3-1-2-8(6-9)13-10-7-12-5-4-11(10)14(16)17/h1-7,13,15H
InChIKeyIEDHBNMFULFCQR-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.44
Rot. Bonds3

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

3-[(4-nitro-3-pyridinyl)amino]phenol (PubChem CID 22164899) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-[(4-nitro-3-pyridinyl)amino]phenol.

Molecular Properties

Compound Name3-[(4-nitro-3-pyridinyl)amino]phenol
PubChem CID22164899
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3-[(4-nitro-3-pyridinyl)amino]phenol
SMILESO=[N+]([O-])c1ccncc1Nc1cccc(O)c1
InChIInChI=1S/C11H9N3O3/c15-9-3-1-2-8(6-9)13-10-7-12-5-4-11(10)14(16)17/h1-7,13,15H
InChIKeyIEDHBNMFULFCQR-UHFFFAOYSA-N
XLogP2.44
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

N-(4-nitro-3-pyridinyl)nitramide
CID 119087144
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
3-[2-nitro-4-(trifluoromethyl)anilino]phenol
CID 4763940
3-(pyridin-4-ylamino)phenol
CID 13098457
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
3-(3-amino-2,4,6-trinitroanilino)phenol
CID 3808908
N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 58459332
3-[(3-nitro-4-pyridinyl)sulfanyl]phenol
CID 104590958
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
5-[(4-methyl-3-pyridinyl)amino]-2-nitrobenzonitrile
CID 115501204
N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
CID 84819035
1-N,3-N-bis(2,6-dinitrophenyl)benzene-1,3-diamine
CID 102533464

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitro-3-pyridinyl)amino]phenol?
The IUPAC name of 3-[(4-nitro-3-pyridinyl)amino]phenol (CID 22164899) is 3-[(4-nitro-3-pyridinyl)amino]phenol.
What is the SMILES notation for 3-[(4-nitro-3-pyridinyl)amino]phenol?
The canonical SMILES for 3-[(4-nitro-3-pyridinyl)amino]phenol is O=[N+]([O-])c1ccncc1Nc1cccc(O)c1.
What is the InChIKey of 3-[(4-nitro-3-pyridinyl)amino]phenol?
The InChIKey is IEDHBNMFULFCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-3-1-2-8(6-9)13-10-7-12-5-4-11(10)14(16)17/h1-7,13,15H.
What are the key properties of 3-[(4-nitro-3-pyridinyl)amino]phenol?
3-[(4-nitro-3-pyridinyl)amino]phenol has a molecular weight of 231.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitro-3-pyridinyl)amino]phenol is sourced from PubChem (CID 22164899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).