2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

C14H11N5O3 — CID 141280706

IUPAC2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESNc1cc(Oc2ccnc(-c3cn[nH]c3)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N5O3/c15-12-5-10(1-2-14(12)19(20)21)22-11-3-4-16-13(6-11)9-7-17-18-8-9/h1-8H,15H2,(H,17,18)
InChIKeyKGFVHQOSAYPCNA-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.75
Rot. Bonds4

About 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (PubChem CID 141280706) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
PubChem CID141280706
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESNc1cc(Oc2ccnc(-c3cn[nH]c3)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N5O3/c15-12-5-10(1-2-14(12)19(20)21)22-11-3-4-16-13(6-11)9-7-17-18-8-9/h1-8H,15H2,(H,17,18)
InChIKeyKGFVHQOSAYPCNA-UHFFFAOYSA-N
XLogP2.75
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
2-nitro-5-(4-propan-2-ylphenoxy)aniline
CID 106751963
3-(3-amino-4-nitrophenoxy)-4-nitroaniline
CID 71375971
2-nitro-5-pyridin-2-ylaniline
CID 89158283
4-(4-fluorophenoxy)-2-nitroaniline
CID 142716049
5-(3-bromo-5-fluorophenoxy)-2-nitroaniline
CID 106752087
4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
CID 67450786
5-(5-bromo-2-methylphenoxy)-2-nitroaniline
CID 107287356
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The IUPAC name of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (CID 141280706) is 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The canonical SMILES for 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is Nc1cc(Oc2ccnc(-c3cn[nH]c3)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The InChIKey is KGFVHQOSAYPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c15-12-5-10(1-2-14(12)19(20)21)22-11-3-4-16-13(6-11)9-7-17-18-8-9/h1-8H,15H2,(H,17,18).
What are the key properties of 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline has a molecular weight of 297.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 141280706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).