6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine

C13H7ClN4O3 — CID 133305556

IUPAC6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine
SMILESO=[N+]([O-])c1ccc(Cl)cc1Oc1ccc2nccnc2n1
InChIInChI=1S/C13H7ClN4O3/c14-8-1-3-10(18(19)20)11(7-8)21-12-4-2-9-13(17-12)16-6-5-15-9/h1-7H
InChIKeyOPIKQGZPKZVNAK-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.38
Rot. Bonds3

About 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine

6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine (PubChem CID 133305556) has the molecular formula C13H7ClN4O3 and a molecular weight of 302.68 g/mol. Its IUPAC name is 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine
PubChem CID133305556
Molecular FormulaC13H7ClN4O3
Molecular Weight302.68 g/mol
Exact Mass302.02
IUPAC Name6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine
SMILESO=[N+]([O-])c1ccc(Cl)cc1Oc1ccc2nccnc2n1
InChIInChI=1S/C13H7ClN4O3/c14-8-1-3-10(18(19)20)11(7-8)21-12-4-2-9-13(17-12)16-6-5-15-9/h1-7H
InChIKeyOPIKQGZPKZVNAK-UHFFFAOYSA-N
XLogP3.38
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.38
H-Bond Donors ≤ 50
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

2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633680
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
CID 114287950
9-(5-chloro-2-nitrophenoxy)nonane-1-thiol
CID 105344440
6-(5-chloro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 80872389
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55156102
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911648

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine?
The IUPAC name of 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine (CID 133305556) is 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine is O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc2nccnc2n1.
What is the InChIKey of 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine?
The InChIKey is OPIKQGZPKZVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O3/c14-8-1-3-10(18(19)20)11(7-8)21-12-4-2-9-13(17-12)16-6-5-15-9/h1-7H.
What are the key properties of 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine?
6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine has a molecular weight of 302.68 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 133305556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).