2-(2-nitro-4-pyridinyl)acetonitrile

C7H5N3O2 — CID 142662159

IUPAC2-(2-nitro-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc([N+](=O)[O-])c1
InChIInChI=1S/C7H5N3O2/c8-3-1-6-2-4-9-7(5-6)10(11)12/h2,4-5H,1H2
InChIKeyGQWHIHZUZJGAME-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-nitro-4-pyridinyl)acetonitrile

2-(2-nitro-4-pyridinyl)acetonitrile (PubChem CID 142662159) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-(2-nitro-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-nitro-4-pyridinyl)acetonitrile
PubChem CID142662159
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name2-(2-nitro-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc([N+](=O)[O-])c1
InChIInChI=1S/C7H5N3O2/c8-3-1-6-2-4-9-7(5-6)10(11)12/h2,4-5H,1H2
InChIKeyGQWHIHZUZJGAME-UHFFFAOYSA-N
XLogP1.06
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.06
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-(2-amino-4-pyridinyl)acetonitrile
CID 45382143
4-(cyanomethyl)-2-nitrobenzonitrile
CID 164597120
4-chloro-2-nitropyridine
CID 2762847
2-(2-trimethylsilyl-4-pyridinyl)acetonitrile
CID 175447019
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001916
2-[4-fluoro-3-[(4-nitrophenyl)methoxy]phenyl]acetonitrile
CID 22030638
2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118835055
2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
2-(3-aminophenyl)acetonitrile;2-(3-nitrophenyl)acetonitrile
CID 158393114
2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131216692
2-(6-nitroquinazolin-4-yl)acetonitrile
CID 64590288

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-nitro-4-pyridinyl)acetonitrile (CID 142662159) is 2-(2-nitro-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-nitro-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-nitro-4-pyridinyl)acetonitrile is N#CCc1ccnc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-nitro-4-pyridinyl)acetonitrile?
The InChIKey is GQWHIHZUZJGAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-3-1-6-2-4-9-7(5-6)10(11)12/h2,4-5H,1H2.
What are the key properties of 2-(2-nitro-4-pyridinyl)acetonitrile?
2-(2-nitro-4-pyridinyl)acetonitrile has a molecular weight of 163.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-4-pyridinyl)acetonitrile is sourced from PubChem (CID 142662159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).