2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile

C7H4BrN3O2 — CID 131216692

IUPAC2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
SMILESN#CCc1nc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C7H4BrN3O2/c8-5-1-2-7(11(12)13)10-6(5)3-4-9/h1-2H,3H2
InChIKeyLZLNSWSLFLEYLQ-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile

2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile (PubChem CID 131216692) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
PubChem CID131216692
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
SMILESN#CCc1nc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C7H4BrN3O2/c8-5-1-2-7(11(12)13)10-6(5)3-4-9/h1-2H,3H2
InChIKeyLZLNSWSLFLEYLQ-UHFFFAOYSA-N
XLogP1.82
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.82
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

(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
2-(5-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131191266
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
2-bromo-6-nitropyridine-3-carbonitrile
CID 118990740
3-bromo-2-chloro-6-nitropyridine
CID 130779079
2-[4-(difluoromethyl)-3-hydroxy-6-nitro-2-pyridinyl]acetonitrile
CID 118823788
3-bromo-6-nitropyridine-2-carboxylic acid
CID 130773818
2-[3-hydroxy-6-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681205
2-(2-nitro-4-pyridinyl)acetonitrile
CID 142662159
2-amino-6-nitropyridine-3-carbonitrile
CID 119001110
2-(6-nitroquinazolin-4-yl)acetonitrile
CID 64590288
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile (CID 131216692) is 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile is N#CCc1nc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile?
The InChIKey is LZLNSWSLFLEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-5-1-2-7(11(12)13)10-6(5)3-4-9/h1-2H,3H2.
What are the key properties of 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile?
2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile has a molecular weight of 242.03 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131216692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).