6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine

C13H14N4O3 — CID 106485412

IUPAC6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
SMILESCNCc1ccccc1Oc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H14N4O3/c1-15-8-9-4-2-3-5-11(9)20-12-7-6-10(17(18)19)13(14)16-12/h2-7,15H,8H2,1H3,(H2,14,16)
InChIKeyVXFAZGHBNSQUNR-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.08
Rot. Bonds5

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

6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine (PubChem CID 106485412) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
PubChem CID106485412
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
SMILESCNCc1ccccc1Oc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H14N4O3/c1-15-8-9-4-2-3-5-11(9)20-12-7-6-10(17(18)19)13(14)16-12/h2-7,15H,8H2,1H3,(H2,14,16)
InChIKeyVXFAZGHBNSQUNR-UHFFFAOYSA-N
XLogP2.08
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.08
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

1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
1-[2-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106485401
1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 102702889
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
N-methyl-1-(2-quinolin-2-yloxyphenyl)methanamine
CID 106485480
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
3-[(6-amino-5-nitro-2-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 79816029
CID 157299402
CID 157299402
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenol
CID 10083938

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine?
The IUPAC name of 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine (CID 106485412) is 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine is CNCc1ccccc1Oc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine?
The InChIKey is VXFAZGHBNSQUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-15-8-9-4-2-3-5-11(9)20-12-7-6-10(17(18)19)13(14)16-12/h2-7,15H,8H2,1H3,(H2,14,16).
What are the key properties of 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine?
6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine has a molecular weight of 274.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine is sourced from PubChem (CID 106485412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).