2,6-difluoro-3-(4-nitrophenyl)pyridine

C11H6F2N2O2 — CID 101450711

IUPAC2,6-difluoro-3-(4-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(F)nc2F)cc1
InChIInChI=1S/C11H6F2N2O2/c12-10-6-5-9(11(13)14-10)7-1-3-8(4-2-7)15(16)17/h1-6H
InChIKeyJNNHGTQULKNTFP-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.93
Rot. Bonds2

About 2,6-difluoro-3-(4-nitrophenyl)pyridine

2,6-difluoro-3-(4-nitrophenyl)pyridine (PubChem CID 101450711) has the molecular formula C11H6F2N2O2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-nitrophenyl)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-(4-nitrophenyl)pyridine
PubChem CID101450711
Molecular FormulaC11H6F2N2O2
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name2,6-difluoro-3-(4-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(F)nc2F)cc1
InChIInChI=1S/C11H6F2N2O2/c12-10-6-5-9(11(13)14-10)7-1-3-8(4-2-7)15(16)17/h1-6H
InChIKeyJNNHGTQULKNTFP-UHFFFAOYSA-N
XLogP2.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
2-(4-fluorophenyl)-4-nitroaniline
CID 139699338
4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
CID 86052941
3-(4-nitrophenyl)-2-[[3-(4-nitrophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine
CID 134693588
4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
3-methyl-4-(4-nitrophenyl)phenol
CID 118072447
6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
CID 174929403
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
CID 59711141
CID 59711141

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-nitrophenyl)pyridine?
The IUPAC name of 2,6-difluoro-3-(4-nitrophenyl)pyridine (CID 101450711) is 2,6-difluoro-3-(4-nitrophenyl)pyridine.
What is the SMILES notation for 2,6-difluoro-3-(4-nitrophenyl)pyridine?
The canonical SMILES for 2,6-difluoro-3-(4-nitrophenyl)pyridine is O=[N+]([O-])c1ccc(-c2ccc(F)nc2F)cc1.
What is the InChIKey of 2,6-difluoro-3-(4-nitrophenyl)pyridine?
The InChIKey is JNNHGTQULKNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O2/c12-10-6-5-9(11(13)14-10)7-1-3-8(4-2-7)15(16)17/h1-6H.
What are the key properties of 2,6-difluoro-3-(4-nitrophenyl)pyridine?
2,6-difluoro-3-(4-nitrophenyl)pyridine has a molecular weight of 236.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-nitrophenyl)pyridine is sourced from PubChem (CID 101450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).