2,3-dichloro-4,6-dinitropyridine

C5HCl2N3O4 — CID 71429452

IUPAC2,3-dichloro-4,6-dinitropyridine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)n1
InChIInChI=1S/C5HCl2N3O4/c6-4-2(9(11)12)1-3(10(13)14)8-5(4)7/h1H
InChIKeyJGHWUIPUHDQBSP-UHFFFAOYSA-N
MW237.99 g/mol
LogP2.20
Rot. Bonds2

About 2,3-dichloro-4,6-dinitropyridine

2,3-dichloro-4,6-dinitropyridine (PubChem CID 71429452) has the molecular formula C5HCl2N3O4 and a molecular weight of 237.99 g/mol. Its IUPAC name is 2,3-dichloro-4,6-dinitropyridine.

Molecular Properties

Compound Name2,3-dichloro-4,6-dinitropyridine
PubChem CID71429452
Molecular FormulaC5HCl2N3O4
Molecular Weight237.99 g/mol
Exact Mass236.93
IUPAC Name2,3-dichloro-4,6-dinitropyridine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)n1
InChIInChI=1S/C5HCl2N3O4/c6-4-2(9(11)12)1-3(10(13)14)8-5(4)7/h1H
InChIKeyJGHWUIPUHDQBSP-UHFFFAOYSA-N
XLogP2.20
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.99
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
2,4-dichloro-6-nitropyrimidine
CID 19391209
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
3-bromo-2-chloro-6-nitropyridine
CID 130779079
4-chloro-2-iodo-6-nitropyridine
CID 118839728
2-chloro-3-fluoro-6-nitropyridine
CID 119018246
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
7-chloro-5-nitro-2,3-dihydrofuro[2,3-c]pyridine
CID 10536056
5,6-dichloro-3-nitropyridin-2-amine
CID 15392047

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4,6-dinitropyridine?
The IUPAC name of 2,3-dichloro-4,6-dinitropyridine (CID 71429452) is 2,3-dichloro-4,6-dinitropyridine.
What is the SMILES notation for 2,3-dichloro-4,6-dinitropyridine?
The canonical SMILES for 2,3-dichloro-4,6-dinitropyridine is O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)n1.
What is the InChIKey of 2,3-dichloro-4,6-dinitropyridine?
The InChIKey is JGHWUIPUHDQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3O4/c6-4-2(9(11)12)1-3(10(13)14)8-5(4)7/h1H.
What are the key properties of 2,3-dichloro-4,6-dinitropyridine?
2,3-dichloro-4,6-dinitropyridine has a molecular weight of 237.99 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4,6-dinitropyridine is sourced from PubChem (CID 71429452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).