2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine

C11H8ClN3O2 — CID 168929606

IUPAC2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
SMILESCc1ccc([N+](=O)[O-])cc1-c1cncc(Cl)n1
InChIInChI=1S/C11H8ClN3O2/c1-7-2-3-8(15(16)17)4-9(7)10-5-13-6-11(12)14-10/h2-6H,1H3
InChIKeyBIUZOJWYMCBBRV-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.01
Rot. Bonds2

About 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine

2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine (PubChem CID 168929606) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
PubChem CID168929606
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
SMILESCc1ccc([N+](=O)[O-])cc1-c1cncc(Cl)n1
InChIInChI=1S/C11H8ClN3O2/c1-7-2-3-8(15(16)17)4-9(7)10-5-13-6-11(12)14-10/h2-6H,1H3
InChIKeyBIUZOJWYMCBBRV-UHFFFAOYSA-N
XLogP3.01
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 66314762
2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine
CID 58234804
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
CID 104820032
3-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carbonyl chloride;hydrochloride
CID 87861460
4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62319606
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
5-(1-chloroethyl)-4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62771216
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxylic acid
CID 106512151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine?
The IUPAC name of 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine (CID 168929606) is 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine.
What is the SMILES notation for 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine?
The canonical SMILES for 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine is Cc1ccc([N+](=O)[O-])cc1-c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine?
The InChIKey is BIUZOJWYMCBBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c1-7-2-3-8(15(16)17)4-9(7)10-5-13-6-11(12)14-10/h2-6H,1H3.
What are the key properties of 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine?
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine has a molecular weight of 249.66 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine is sourced from PubChem (CID 168929606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).