6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine

C10H7ClN4O3 — CID 80647936

IUPAC6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine
SMILESNc1cncc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C10H7ClN4O3/c11-7-3-6(1-2-8(7)15(16)17)18-10-5-13-4-9(12)14-10/h1-5H,(H2,12,14)
InChIKeyJGDDGNYLTIMSQD-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.41
Rot. Bonds3

About 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine

6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine (PubChem CID 80647936) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine
PubChem CID80647936
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine
SMILESNc1cncc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C10H7ClN4O3/c11-7-3-6(1-2-8(7)15(16)17)18-10-5-13-4-9(12)14-10/h1-5H,(H2,12,14)
InChIKeyJGDDGNYLTIMSQD-UHFFFAOYSA-N
XLogP2.41
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458284
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
[6-(3-chloro-4-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633382
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole
CID 79398869
4-(3-chloro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332407
4-(3-chloro-4-nitrophenoxy)-N-ethylpyrimidin-2-amine
CID 80873261
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 113369611
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
[3-(3-chloro-4-nitrophenoxy)pyrazol-1-yl] acetate
CID 146291997

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine?
The IUPAC name of 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine (CID 80647936) is 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine?
The canonical SMILES for 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine is Nc1cncc(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine?
The InChIKey is JGDDGNYLTIMSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-7-3-6(1-2-8(7)15(16)17)18-10-5-13-4-9(12)14-10/h1-5H,(H2,12,14).
What are the key properties of 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine?
6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine has a molecular weight of 266.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine is sourced from PubChem (CID 80647936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).