3-chloro-2,4-dinitropyridine

C5H2ClN3O4 — CID 174686743

IUPAC3-chloro-2,4-dinitropyridine
SMILESO=[N+]([O-])c1ccnc([N+](=O)[O-])c1Cl
InChIInChI=1S/C5H2ClN3O4/c6-4-3(8(10)11)1-2-7-5(4)9(12)13/h1-2H
InChIKeyFJUKOVFCLGFEAW-UHFFFAOYSA-N
MW203.54 g/mol
LogP1.55
Rot. Bonds2

About 3-chloro-2,4-dinitropyridine

3-chloro-2,4-dinitropyridine (PubChem CID 174686743) has the molecular formula C5H2ClN3O4 and a molecular weight of 203.54 g/mol. Its IUPAC name is 3-chloro-2,4-dinitropyridine.

Molecular Properties

Compound Name3-chloro-2,4-dinitropyridine
PubChem CID174686743
Molecular FormulaC5H2ClN3O4
Molecular Weight203.54 g/mol
Exact Mass202.97
IUPAC Name3-chloro-2,4-dinitropyridine
SMILESO=[N+]([O-])c1ccnc([N+](=O)[O-])c1Cl
InChIInChI=1S/C5H2ClN3O4/c6-4-3(8(10)11)1-2-7-5(4)9(12)13/h1-2H
InChIKeyFJUKOVFCLGFEAW-UHFFFAOYSA-N
XLogP1.55
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.54
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2-methyl-4-nitropyridine
CID 21364039
3-chloro-2-iodo-4-nitropyridine
CID 131142975
2,3-dinitropyridine;hydrazine
CID 175406944
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
4-chloro-2-nitro-3-phenylpyridine
CID 118850926
4-chloro-2-nitropyridine
CID 2762847
3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine
CID 175388180
2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine
CID 158230025
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
3-ethynyl-2-nitropyridine
CID 57416834

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dinitropyridine?
The IUPAC name of 3-chloro-2,4-dinitropyridine (CID 174686743) is 3-chloro-2,4-dinitropyridine.
What is the SMILES notation for 3-chloro-2,4-dinitropyridine?
The canonical SMILES for 3-chloro-2,4-dinitropyridine is O=[N+]([O-])c1ccnc([N+](=O)[O-])c1Cl.
What is the InChIKey of 3-chloro-2,4-dinitropyridine?
The InChIKey is FJUKOVFCLGFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3O4/c6-4-3(8(10)11)1-2-7-5(4)9(12)13/h1-2H.
What are the key properties of 3-chloro-2,4-dinitropyridine?
3-chloro-2,4-dinitropyridine has a molecular weight of 203.54 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dinitropyridine is sourced from PubChem (CID 174686743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).