4-(difluoromethyl)-2-fluoro-5-nitropyridine

C6H3F3N2O2 — CID 130096275

IUPAC4-(difluoromethyl)-2-fluoro-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(F)cc1C(F)F
InChIInChI=1S/C6H3F3N2O2/c7-5-1-3(6(8)9)4(2-10-5)11(12)13/h1-2,6H
InChIKeyAZLMSAGFTPHTSK-UHFFFAOYSA-N
MW192.10 g/mol
LogP2.07
Rot. Bonds2

About 4-(difluoromethyl)-2-fluoro-5-nitropyridine

4-(difluoromethyl)-2-fluoro-5-nitropyridine (PubChem CID 130096275) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-5-nitropyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-5-nitropyridine
PubChem CID130096275
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name4-(difluoromethyl)-2-fluoro-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(F)cc1C(F)F
InChIInChI=1S/C6H3F3N2O2/c7-5-1-3(6(8)9)4(2-10-5)11(12)13/h1-2,6H
InChIKeyAZLMSAGFTPHTSK-UHFFFAOYSA-N
XLogP2.07
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 52.07
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-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
5-bromo-1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 131050884
5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-5-nitropyridine?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-5-nitropyridine (CID 130096275) is 4-(difluoromethyl)-2-fluoro-5-nitropyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-5-nitropyridine?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-5-nitropyridine is O=[N+]([O-])c1cnc(F)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-5-nitropyridine?
The InChIKey is AZLMSAGFTPHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-5-1-3(6(8)9)4(2-10-5)11(12)13/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-2-fluoro-5-nitropyridine?
4-(difluoromethyl)-2-fluoro-5-nitropyridine has a molecular weight of 192.10 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-fluoro-5-nitropyridine is sourced from PubChem (CID 130096275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).