2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride

C6H2Cl4F3N2O3P — CID 158145766

IUPAC2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C6H2ClF3N2O2.Cl3OP/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10;1-5(2,3)4/h1-2H;
InChIKeyFUMNUOWVANECAB-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.47
Rot. Bonds1

About 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride

2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride (PubChem CID 158145766) has the molecular formula C6H2Cl4F3N2O3P and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride.

Molecular Properties

Compound Name2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
PubChem CID158145766
Molecular FormulaC6H2Cl4F3N2O3P
Molecular Weight379.87 g/mol
Exact Mass377.85
IUPAC Name2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C6H2ClF3N2O2.Cl3OP/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10;1-5(2,3)4/h1-2H;
InChIKeyFUMNUOWVANECAB-UHFFFAOYSA-N
XLogP5.47
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.47
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;5-methoxy-N-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine;2-N-(5-methoxypyrazin-2-yl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 158973091
2-methylsulfanyl-3-nitro-5-(trifluoromethyl)pyridine
CID 125116609
2-nitro-5-(trifluoromethyl)pyridine-3-thiol
CID 130982298
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118704084
sodium 2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 139026452
2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
CID 87510432
2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
CID 177245623
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-nitrophenyl)hydrazine
CID 141438327
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride?
The IUPAC name of 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride (CID 158145766) is 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride.
What is the SMILES notation for 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride?
The canonical SMILES for 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride is O=P(Cl)(Cl)Cl.O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride?
The InChIKey is FUMNUOWVANECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O2.Cl3OP/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10;1-5(2,3)4/h1-2H;.
What are the key properties of 2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride?
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride has a molecular weight of 379.87 g/mol, XLogP of 5.47, 1 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-(trifluoromethyl)pyridine;phosphoryl trichloride is sourced from PubChem (CID 158145766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).