5-(3-methyl-4-nitrophenoxy)pyridin-3-amine

C12H11N3O3 — CID 104536614

IUPAC5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
SMILESCc1cc(Oc2cncc(N)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O3/c1-8-4-10(2-3-12(8)15(16)17)18-11-5-9(13)6-14-7-11/h2-7H,13H2,1H3
InChIKeyRMRRJVVHMFQUDQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds3

About 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine

5-(3-methyl-4-nitrophenoxy)pyridin-3-amine (PubChem CID 104536614) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
PubChem CID104536614
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
SMILESCc1cc(Oc2cncc(N)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O3/c1-8-4-10(2-3-12(8)15(16)17)18-11-5-9(13)6-14-7-11/h2-7H,13H2,1H3
InChIKeyRMRRJVVHMFQUDQ-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

3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 80870463
methyl 4-(3-methyl-4-nitrophenoxy)benzoate
CID 60980580
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
5-[(3-methyl-4-nitrophenoxy)methyl]pyrazin-2-amine
CID 103057914
4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
CID 20610463

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine?
The IUPAC name of 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine (CID 104536614) is 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine is Cc1cc(Oc2cncc(N)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine?
The InChIKey is RMRRJVVHMFQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-4-10(2-3-12(8)15(16)17)18-11-5-9(13)6-14-7-11/h2-7H,13H2,1H3.
What are the key properties of 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine?
5-(3-methyl-4-nitrophenoxy)pyridin-3-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 5-(3-methyl-4-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 104536614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).