3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine

C12H7F3N2O2 — CID 169048289

IUPAC3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)10-5-9(6-16-7-10)8-1-3-11(4-2-8)17(18)19/h1-7H
InChIKeyRNQBNGNXACHHBK-UHFFFAOYSA-N
MW268.19 g/mol
LogP3.68
Rot. Bonds2

About 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine

3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine (PubChem CID 169048289) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
PubChem CID169048289
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)10-5-9(6-16-7-10)8-1-3-11(4-2-8)17(18)19/h1-7H
InChIKeyRNQBNGNXACHHBK-UHFFFAOYSA-N
XLogP3.68
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 53.68
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

5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole
CID 71607351
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
4-nitro-1-[4-nitro-2-[4-(trifluoromethyl)phenyl]phenoxy]-2-[4-(trifluoromethyl)phenyl]benzene
CID 23344647
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
4-methyl-6-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141290043
3-nitro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134627330
4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
1-nitro-4-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174710355

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine (CID 169048289) is 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine is O=[N+]([O-])c1ccc(-c2cncc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is RNQBNGNXACHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-12(14,15)10-5-9(6-16-7-10)8-1-3-11(4-2-8)17(18)19/h1-7H.
What are the key properties of 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine?
3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 268.19 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169048289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).