2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine

C13H10F2N2O3 — CID 144784443

IUPAC2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine
SMILESO=[N+]([O-])c1cccc(C(F)F)c1COc1ccccn1
InChIInChI=1S/C13H10F2N2O3/c14-13(15)9-4-3-5-11(17(18)19)10(9)8-20-12-6-1-2-7-16-12/h1-7,13H,8H2
InChIKeyKENOGWKZPRSIMO-UHFFFAOYSA-N
MW280.23 g/mol
LogP3.51
Rot. Bonds5

About 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine

2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine (PubChem CID 144784443) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine
PubChem CID144784443
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC Name2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine
SMILESO=[N+]([O-])c1cccc(C(F)F)c1COc1ccccn1
InChIInChI=1S/C13H10F2N2O3/c14-13(15)9-4-3-5-11(17(18)19)10(9)8-20-12-6-1-2-7-16-12/h1-7,13H,8H2
InChIKeyKENOGWKZPRSIMO-UHFFFAOYSA-N
XLogP3.51
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 53.51
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-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
CID 144783794
2-[(3-nitrophenyl)methoxy]pyridine
CID 112788687
1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 46311780
2-chloro-1-(difluoromethyl)-3-nitrobenzene
CID 71239400
2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine
CID 7142020
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
CID 174798016
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
5-(2-nitroethyl)-2-(pyridin-2-yloxymethyl)pyridine
CID 59255451
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine
CID 144784299
(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
CID 12711118

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine?
The IUPAC name of 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine (CID 144784443) is 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine.
What is the SMILES notation for 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine?
The canonical SMILES for 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine is O=[N+]([O-])c1cccc(C(F)F)c1COc1ccccn1.
What is the InChIKey of 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine?
The InChIKey is KENOGWKZPRSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c14-13(15)9-4-3-5-11(17(18)19)10(9)8-20-12-6-1-2-7-16-12/h1-7,13H,8H2.
What are the key properties of 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine?
2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine has a molecular weight of 280.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethyl)-6-nitrophenyl]methoxy]pyridine is sourced from PubChem (CID 144784443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).