4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine

C12H7F3N2O3 — CID 46317127

IUPAC4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2ccncc2)ccc1OC(F)(F)F
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)20-11-2-1-9(7-10(11)17(18)19)8-3-5-16-6-4-8/h1-7H
InChIKeyUVBMJHAAOSDHQZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.56
Rot. Bonds3

About 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine

4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 46317127) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine
PubChem CID46317127
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2ccncc2)ccc1OC(F)(F)F
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)20-11-2-1-9(7-10(11)17(18)19)8-3-5-16-6-4-8/h1-7H
InChIKeyUVBMJHAAOSDHQZ-UHFFFAOYSA-N
XLogP3.56
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.56
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-nitro-1-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118834881
3-nitro-4-(trifluoromethoxy)benzenethiol
CID 171028791
1,2,3-trichloro-4-[3-nitro-4-(trifluoromethoxy)phenyl]benzene
CID 118818582
4-(4-tert-butyl-3-nitrophenyl)pyridine
CID 141338733
3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 88545036
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
4-[3-bromo-4-(trifluoromethoxy)phenyl]pyridine;4-[4-(trifluoromethoxy)phenyl]pyridine
CID 158192598
4-isocyanato-2-nitro-1-(trifluoromethoxy)benzene
CID 169355921
[3-nitro-4-(trifluoromethoxy)phenyl]thiourea
CID 169360068
4-(3-nitro-4-phenylmethoxyphenyl)pyridine;2-phenylmethoxy-5-pyridin-4-ylaniline
CID 161198066
1-(2-nitro-4-pyridin-4-ylphenyl)ethanone
CID 15091336
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167

Frequently Asked Questions

What is the IUPAC name of 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine (CID 46317127) is 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine is O=[N+]([O-])c1cc(-c2ccncc2)ccc1OC(F)(F)F.
What is the InChIKey of 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is UVBMJHAAOSDHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)20-11-2-1-9(7-10(11)17(18)19)8-3-5-16-6-4-8/h1-7H.
What are the key properties of 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine?
4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 284.19 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 46317127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).