2-chloro-3-(chloromethyl)-5-nitropyridine

C6H4Cl2N2O2 — CID 172831789

IUPAC2-chloro-3-(chloromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(CCl)c1
InChIInChI=1S/C6H4Cl2N2O2/c7-2-4-1-5(10(11)12)3-9-6(4)8/h1,3H,2H2
InChIKeyVPLYVBWEBCMYAC-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.38
Rot. Bonds2

About 2-chloro-3-(chloromethyl)-5-nitropyridine

2-chloro-3-(chloromethyl)-5-nitropyridine (PubChem CID 172831789) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-5-nitropyridine.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-5-nitropyridine
PubChem CID172831789
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC Name2-chloro-3-(chloromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(CCl)c1
InChIInChI=1S/C6H4Cl2N2O2/c7-2-4-1-5(10(11)12)3-9-6(4)8/h1,3H,2H2
InChIKeyVPLYVBWEBCMYAC-UHFFFAOYSA-N
XLogP2.38
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-chloro-3-ethyl-5-nitropyridine
CID 86657225
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
2-chloro-3-(4-chlorobut-1-enyl)-5-nitropyridine
CID 170499473
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314
2,8-dichloro-3-(chloromethyl)-6-nitroquinoline
CID 63232149
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-(chloromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 131500572
5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134617551
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-5-nitropyridine?
The IUPAC name of 2-chloro-3-(chloromethyl)-5-nitropyridine (CID 172831789) is 2-chloro-3-(chloromethyl)-5-nitropyridine.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-5-nitropyridine?
The canonical SMILES for 2-chloro-3-(chloromethyl)-5-nitropyridine is O=[N+]([O-])c1cnc(Cl)c(CCl)c1.
What is the InChIKey of 2-chloro-3-(chloromethyl)-5-nitropyridine?
The InChIKey is VPLYVBWEBCMYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c7-2-4-1-5(10(11)12)3-9-6(4)8/h1,3H,2H2.
What are the key properties of 2-chloro-3-(chloromethyl)-5-nitropyridine?
2-chloro-3-(chloromethyl)-5-nitropyridine has a molecular weight of 207.02 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-5-nitropyridine is sourced from PubChem (CID 172831789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).