4-[(4-nitrophenyl)methyl]pyridine

C12H10N2O2 — CID 14129

IUPAC4-[(4-nitrophenyl)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKeyMNHKUCBXXMFQDM-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.58
Rot. Bonds3

About 4-[(4-nitrophenyl)methyl]pyridine

4-[(4-nitrophenyl)methyl]pyridine (PubChem CID 14129) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methyl]pyridine
PubChem CID14129
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-[(4-nitrophenyl)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKeyMNHKUCBXXMFQDM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methyl]pyridine?
The IUPAC name of 4-[(4-nitrophenyl)methyl]pyridine (CID 14129) is 4-[(4-nitrophenyl)methyl]pyridine.
What is the SMILES notation for 4-[(4-nitrophenyl)methyl]pyridine?
The canonical SMILES for 4-[(4-nitrophenyl)methyl]pyridine is O=[N+]([O-])c1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methyl]pyridine?
The InChIKey is MNHKUCBXXMFQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2.
What are the key properties of 4-[(4-nitrophenyl)methyl]pyridine?
4-[(4-nitrophenyl)methyl]pyridine has a molecular weight of 214.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)methyl]pyridine is sourced from PubChem (CID 14129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).