4-[nitro(phenyl)methyl]pyridine

C12H10N2O2 — CID 20978505

IUPAC4-[nitro(phenyl)methyl]pyridine
SMILESO=[N+]([O-])C(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12H
InChIKeyAZCKVTHZYMBDFJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.45
Rot. Bonds3

About 4-[nitro(phenyl)methyl]pyridine

4-[nitro(phenyl)methyl]pyridine (PubChem CID 20978505) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-[nitro(phenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[nitro(phenyl)methyl]pyridine
PubChem CID20978505
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-[nitro(phenyl)methyl]pyridine
SMILESO=[N+]([O-])C(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12H
InChIKeyAZCKVTHZYMBDFJ-UHFFFAOYSA-N
XLogP2.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[nitro(phenyl)methyl]-1,3-oxazole
CID 162439597
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
4-[bromo(phenyl)methyl]pyridine
CID 43608201
4-benzhydrylpyridine;ethane
CID 90843990
(1R)-2-nitro-1-pyridin-4-ylethanol
CID 709368
nitro(phenyl)methanamine
CID 174706034
benzene;nitro(phenyl)methanol
CID 174698323
(2-nitro-1-phenylethyl)benzene
CID 11521460
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
[(1R)-1-chloro-2-nitroethyl]benzene
CID 164680326
trimethyl-(2-phenyl-2-pyridin-4-ylethyl)silane
CID 132534673
(1S,2R)-2-nitro-1-pyridin-4-ylpropane-1,3-diol
CID 93003157

Frequently Asked Questions

What is the IUPAC name of 4-[nitro(phenyl)methyl]pyridine?
The IUPAC name of 4-[nitro(phenyl)methyl]pyridine (CID 20978505) is 4-[nitro(phenyl)methyl]pyridine.
What is the SMILES notation for 4-[nitro(phenyl)methyl]pyridine?
The canonical SMILES for 4-[nitro(phenyl)methyl]pyridine is O=[N+]([O-])C(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-[nitro(phenyl)methyl]pyridine?
The InChIKey is AZCKVTHZYMBDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-14(16)12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12H.
What are the key properties of 4-[nitro(phenyl)methyl]pyridine?
4-[nitro(phenyl)methyl]pyridine has a molecular weight of 214.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[nitro(phenyl)methyl]pyridine is sourced from PubChem (CID 20978505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).