2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine

C19H12ClF3N2O3 — CID 177245623

IUPAC2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cnc1Cl
InChIInChI=1S/C19H12ClF3N2O3/c20-18-17(25(26)27)9-14(10-24-18)13-4-2-6-16(8-13)28-11-12-3-1-5-15(7-12)19(21,22)23/h1-10H,11H2
InChIKeyFVGPXLFDPPWQEK-UHFFFAOYSA-N
MW408.76 g/mol
LogP5.91
Rot. Bonds5

About 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine

2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine (PubChem CID 177245623) has the molecular formula C19H12ClF3N2O3 and a molecular weight of 408.76 g/mol. Its IUPAC name is 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
PubChem CID177245623
Molecular FormulaC19H12ClF3N2O3
Molecular Weight408.76 g/mol
Exact Mass408.05
IUPAC Name2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
SMILESO=[N+]([O-])c1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cnc1Cl
InChIInChI=1S/C19H12ClF3N2O3/c20-18-17(25(26)27)9-14(10-24-18)13-4-2-6-16(8-13)28-11-12-3-1-5-15(7-12)19(21,22)23/h1-10H,11H2
InChIKeyFVGPXLFDPPWQEK-UHFFFAOYSA-N
XLogP5.91
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.76
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-nitro-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]benzene
CID 71378325
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide
CID 177245705
1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 177245293
1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
CID 177245652
CID 177245652
4-chloro-3-[[3-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 141166246
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
1,3-dinitro-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 22950728
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
CID 158145766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine?
The IUPAC name of 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine (CID 177245623) is 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine.
What is the SMILES notation for 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine?
The canonical SMILES for 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine is O=[N+]([O-])c1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cnc1Cl.
What is the InChIKey of 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine?
The InChIKey is FVGPXLFDPPWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O3/c20-18-17(25(26)27)9-14(10-24-18)13-4-2-6-16(8-13)28-11-12-3-1-5-15(7-12)19(21,22)23/h1-10H,11H2.
What are the key properties of 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine?
2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine has a molecular weight of 408.76 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine is sourced from PubChem (CID 177245623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).