4-(3-methyl-4-nitrophenoxy)pyridin-2-amine

C12H11N3O3 — CID 23153294

IUPAC4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
SMILESCc1cc(Oc2ccnc(N)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O3/c1-8-6-9(2-3-11(8)15(16)17)18-10-4-5-14-12(13)7-10/h2-7H,1H3,(H2,13,14)
InChIKeyCQOMRRJWVKZXOJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds3

About 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine

4-(3-methyl-4-nitrophenoxy)pyridin-2-amine (PubChem CID 23153294) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
PubChem CID23153294
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
SMILESCc1cc(Oc2ccnc(N)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O3/c1-8-6-9(2-3-11(8)15(16)17)18-10-4-5-14-12(13)7-10/h2-7H,1H3,(H2,13,14)
InChIKeyCQOMRRJWVKZXOJ-UHFFFAOYSA-N
XLogP2.67
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
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

4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
4-(4-methyl-3-nitrophenoxy)pyridin-2-amine;1-[4-(4-methyl-3-nitrophenoxy)-2-pyridinyl]propan-2-one
CID 160671563
5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
5-[(3-methyl-4-nitrophenoxy)methyl]pyrazin-2-amine
CID 103057914
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
CID 67450786
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703
methyl 4-(3-methyl-4-nitrophenoxy)benzoate
CID 60980580
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine?
The IUPAC name of 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine (CID 23153294) is 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine.
What is the SMILES notation for 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine?
The canonical SMILES for 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine is Cc1cc(Oc2ccnc(N)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine?
The InChIKey is CQOMRRJWVKZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-6-9(2-3-11(8)15(16)17)18-10-4-5-14-12(13)7-10/h2-7H,1H3,(H2,13,14).
What are the key properties of 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine?
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine has a molecular weight of 245.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-nitrophenoxy)pyridin-2-amine is sourced from PubChem (CID 23153294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).