6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine

C12H12N4O3 — CID 79815870

IUPAC6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
SMILESCNc1ccc(Oc2ccc([N+](=O)[O-])c(N)n2)cc1
InChIInChI=1S/C12H12N4O3/c1-14-8-2-4-9(5-3-8)19-11-7-6-10(16(17)18)12(13)15-11/h2-7,14H,1H3,(H2,13,15)
InChIKeyCLJQILDQIJRVGA-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.41
Rot. Bonds4

About 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine

6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine (PubChem CID 79815870) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
PubChem CID79815870
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
SMILESCNc1ccc(Oc2ccc([N+](=O)[O-])c(N)n2)cc1
InChIInChI=1S/C12H12N4O3/c1-14-8-2-4-9(5-3-8)19-11-7-6-10(16(17)18)12(13)15-11/h2-7,14H,1H3,(H2,13,15)
InChIKeyCLJQILDQIJRVGA-UHFFFAOYSA-N
XLogP2.41
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.41
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-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
6-[(5-bromo-3-pyridinyl)oxy]-3-nitropyridin-2-amine
CID 79827977
CID 157299402
CID 157299402
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
CID 106485412
3-[4-(methylamino)phenoxy]-4-nitrobenzamide
CID 82992355
6-(3-bromo-5-fluorophenoxy)-3-nitropyridin-2-amine
CID 81331466
6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
3-nitro-6-(trideuteriomethoxy)pyridin-2-amine;6-(trideuteriomethoxy)pyridine-2,3-diamine
CID 161242232
6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
CID 79815802

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine?
The IUPAC name of 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine (CID 79815870) is 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine is CNc1ccc(Oc2ccc([N+](=O)[O-])c(N)n2)cc1.
What is the InChIKey of 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine?
The InChIKey is CLJQILDQIJRVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-14-8-2-4-9(5-3-8)19-11-7-6-10(16(17)18)12(13)15-11/h2-7,14H,1H3,(H2,13,15).
What are the key properties of 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine?
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine is sourced from PubChem (CID 79815870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).