2-[(4-nitrophenyl)methyl]pyrazine

C11H9N3O2 — CID 24786564

IUPAC2-[(4-nitrophenyl)methyl]pyrazine
SMILESO=[N+]([O-])c1ccc(Cc2cnccn2)cc1
InChIInChI=1S/C11H9N3O2/c15-14(16)11-3-1-9(2-4-11)7-10-8-12-5-6-13-10/h1-6,8H,7H2
InChIKeyKRFKIDWVZIWMAC-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.98
Rot. Bonds3

About 2-[(4-nitrophenyl)methyl]pyrazine

2-[(4-nitrophenyl)methyl]pyrazine (PubChem CID 24786564) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methyl]pyrazine.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methyl]pyrazine
PubChem CID24786564
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[(4-nitrophenyl)methyl]pyrazine
SMILESO=[N+]([O-])c1ccc(Cc2cnccn2)cc1
InChIInChI=1S/C11H9N3O2/c15-14(16)11-3-1-9(2-4-11)7-10-8-12-5-6-13-10/h1-6,8H,7H2
InChIKeyKRFKIDWVZIWMAC-UHFFFAOYSA-N
XLogP1.98
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.98
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

2-[(4-nitrophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 556141
5-nitro-1-(pyrazin-2-ylmethyl)benzimidazole
CID 171785152
2-methyl-5-[(4-nitrophenyl)methyl]-1H-imidazole
CID 90695997
2-[(4-nitrophenyl)methyl]-1H-imidazole;hydrochloride
CID 131874324
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
4-nitropyridine;hydrate
CID 132647818
2-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazole
CID 59106721
1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium
CID 4610547
2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine
CID 175294439
2,4-bis[(4-nitrophenyl)methyl]-6-propan-2-yl-1,3,5-triazine
CID 163509706
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
5-methyl-2-[(4-nitrophenyl)methyl]-1-oxidopyrimidin-1-ium
CID 86198941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methyl]pyrazine?
The IUPAC name of 2-[(4-nitrophenyl)methyl]pyrazine (CID 24786564) is 2-[(4-nitrophenyl)methyl]pyrazine.
What is the SMILES notation for 2-[(4-nitrophenyl)methyl]pyrazine?
The canonical SMILES for 2-[(4-nitrophenyl)methyl]pyrazine is O=[N+]([O-])c1ccc(Cc2cnccn2)cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methyl]pyrazine?
The InChIKey is KRFKIDWVZIWMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-14(16)11-3-1-9(2-4-11)7-10-8-12-5-6-13-10/h1-6,8H,7H2.
What are the key properties of 2-[(4-nitrophenyl)methyl]pyrazine?
2-[(4-nitrophenyl)methyl]pyrazine has a molecular weight of 215.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methyl]pyrazine is sourced from PubChem (CID 24786564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).