4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine

C12H9N5O3 — CID 67450786

IUPAC4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])c3[nH]ncc23)ccn1
InChIInChI=1S/C12H9N5O3/c13-11-5-7(3-4-14-11)20-10-2-1-9(17(18)19)12-8(10)6-15-16-12/h1-6H,(H2,13,14)(H,15,16)
InChIKeyMHFCCNPOKQZTIF-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.24
Rot. Bonds3

About 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine

4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine (PubChem CID 67450786) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine.

Molecular Properties

Compound Name4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
PubChem CID67450786
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])c3[nH]ncc23)ccn1
InChIInChI=1S/C12H9N5O3/c13-11-5-7(3-4-14-11)20-10-2-1-9(17(18)19)12-8(10)6-15-16-12/h1-6H,(H2,13,14)(H,15,16)
InChIKeyMHFCCNPOKQZTIF-UHFFFAOYSA-N
XLogP2.24
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
CID 141280706
[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
CID 70881346
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
2-fluoro-4-(4-fluoro-2-nitrophenoxy)pyridine
CID 113367335
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
5-naphthalen-2-yloxy-8-nitroisoquinoline
CID 32678041
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023
4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55156102

Frequently Asked Questions

What is the IUPAC name of 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine?
The IUPAC name of 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine (CID 67450786) is 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine.
What is the SMILES notation for 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine?
The canonical SMILES for 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine is Nc1cc(Oc2ccc([N+](=O)[O-])c3[nH]ncc23)ccn1.
What is the InChIKey of 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine?
The InChIKey is MHFCCNPOKQZTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c13-11-5-7(3-4-14-11)20-10-2-1-9(17(18)19)12-8(10)6-15-16-12/h1-6H,(H2,13,14)(H,15,16).
What are the key properties of 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine?
4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine has a molecular weight of 271.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine is sourced from PubChem (CID 67450786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).