4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine

C7H7ClN6O3 — CID 71190455

IUPAC4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
SMILESCn1c(Oc2ncc(Cl)cc2[N+](=O)[O-])nn1N
InChIInChI=1S/C7H7ClN6O3/c1-12-7(11-14(12)9)17-6-5(13(15)16)2-4(8)3-10-6/h2-3H,9H2,1H3
InChIKeyPZHTYEYNBZGSCW-UHFFFAOYSA-N
MW258.62 g/mol
LogP0.68
Rot. Bonds3

About 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine

4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine (PubChem CID 71190455) has the molecular formula C7H7ClN6O3 and a molecular weight of 258.62 g/mol. Its IUPAC name is 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
PubChem CID71190455
Molecular FormulaC7H7ClN6O3
Molecular Weight258.62 g/mol
Exact Mass258.03
IUPAC Name4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
SMILESCn1c(Oc2ncc(Cl)cc2[N+](=O)[O-])nn1N
InChIInChI=1S/C7H7ClN6O3/c1-12-7(11-14(12)9)17-6-5(13(15)16)2-4(8)3-10-6/h2-3H,9H2,1H3
InChIKeyPZHTYEYNBZGSCW-UHFFFAOYSA-N
XLogP0.68
TPSA114.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.62
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
CID 175137480
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzonitrile
CID 59849857
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
CID 59849927
5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
CID 142523619
methyl 2-[(5-chloro-3-nitro-2-pyridinyl)oxy]-6-fluorobenzoate
CID 59849929
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine?
The IUPAC name of 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine (CID 71190455) is 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine.
What is the SMILES notation for 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine?
The canonical SMILES for 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine is Cn1c(Oc2ncc(Cl)cc2[N+](=O)[O-])nn1N.
What is the InChIKey of 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine?
The InChIKey is PZHTYEYNBZGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6O3/c1-12-7(11-14(12)9)17-6-5(13(15)16)2-4(8)3-10-6/h2-3H,9H2,1H3.
What are the key properties of 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine?
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine has a molecular weight of 258.62 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine is sourced from PubChem (CID 71190455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).