5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine

C17H2Cl10N2O2 — CID 134617551

IUPAC5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESO=[N+]([O-])c1cnc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C17H2Cl10N2O2/c18-7-5(8(19)12(23)15(26)11(7)22)4-1-3(29(30)31)2-28-17(4)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H
InChIKeyICWIEANQMUNFKW-UHFFFAOYSA-N
MW620.75 g/mol
LogP10.86
Rot. Bonds3

About 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine

5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 134617551) has the molecular formula C17H2Cl10N2O2 and a molecular weight of 620.75 g/mol. Its IUPAC name is 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID134617551
Molecular FormulaC17H2Cl10N2O2
Molecular Weight620.75 g/mol
Exact Mass615.70
IUPAC Name5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESO=[N+]([O-])c1cnc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C17H2Cl10N2O2/c18-7-5(8(19)12(23)15(26)11(7)22)4-1-3(29(30)31)2-28-17(4)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H
InChIKeyICWIEANQMUNFKW-UHFFFAOYSA-N
XLogP10.86
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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

3-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
2-chloro-3-ethyl-5-nitropyridine
CID 86657225
2-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
3-(2-chloro-4-pyridinyl)-2-methyl-5-nitropyridine
CID 168928931
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
CID 105452506
3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087531
2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol
CID 156566047
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine (CID 134617551) is 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine is O=[N+]([O-])c1cnc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is ICWIEANQMUNFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H2Cl10N2O2/c18-7-5(8(19)12(23)15(26)11(7)22)4-1-3(29(30)31)2-28-17(4)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H.
What are the key properties of 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine?
5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 620.75 g/mol, XLogP of 10.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 134617551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).