2,6-dichloro-5-nitropyridine-3-carbonyl chloride

C6HCl3N2O3 — CID 54297365

IUPAC2,6-dichloro-5-nitropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c(Cl)nc1Cl
InChIInChI=1S/C6HCl3N2O3/c7-4-2(6(9)12)1-3(11(13)14)5(8)10-4/h1H
InChIKeySBSKXZMPMNPYRV-UHFFFAOYSA-N
MW255.44 g/mol
LogP2.68
Rot. Bonds2

About 2,6-dichloro-5-nitropyridine-3-carbonyl chloride

2,6-dichloro-5-nitropyridine-3-carbonyl chloride (PubChem CID 54297365) has the molecular formula C6HCl3N2O3 and a molecular weight of 255.44 g/mol. Its IUPAC name is 2,6-dichloro-5-nitropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2,6-dichloro-5-nitropyridine-3-carbonyl chloride
PubChem CID54297365
Molecular FormulaC6HCl3N2O3
Molecular Weight255.44 g/mol
Exact Mass253.91
IUPAC Name2,6-dichloro-5-nitropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c(Cl)nc1Cl
InChIInChI=1S/C6HCl3N2O3/c7-4-2(6(9)12)1-3(11(13)14)5(8)10-4/h1H
InChIKeySBSKXZMPMNPYRV-UHFFFAOYSA-N
XLogP2.68
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_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

5-chloro-2-fluoro-3-nitrobenzoyl chloride
CID 165349862
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984
4-chloro-3,5-dinitrobenzoyl chloride
CID 23451564
2,4-dimethoxy-5-nitrobenzoyl chloride
CID 21406539
2,5-dinitrobenzoyl chloride
CID 13033217
2,5-dimethyl-3-nitrobenzoyl chloride
CID 96829774
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
6-chloro-5-nitropyridine-2-carboxylate
CID 6974574
2-nitro-5-(sulfinylamino)benzoyl chloride
CID 163824042
2-formyl-4-methyl-5-nitrobenzoyl chloride
CID 171013344
2-bromo-4-methoxy-5-nitrobenzoyl chloride
CID 171007108
2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 118848721

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-nitropyridine-3-carbonyl chloride?
The IUPAC name of 2,6-dichloro-5-nitropyridine-3-carbonyl chloride (CID 54297365) is 2,6-dichloro-5-nitropyridine-3-carbonyl chloride.
What is the SMILES notation for 2,6-dichloro-5-nitropyridine-3-carbonyl chloride?
The canonical SMILES for 2,6-dichloro-5-nitropyridine-3-carbonyl chloride is O=C(Cl)c1cc([N+](=O)[O-])c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-nitropyridine-3-carbonyl chloride?
The InChIKey is SBSKXZMPMNPYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2O3/c7-4-2(6(9)12)1-3(11(13)14)5(8)10-4/h1H.
What are the key properties of 2,6-dichloro-5-nitropyridine-3-carbonyl chloride?
2,6-dichloro-5-nitropyridine-3-carbonyl chloride has a molecular weight of 255.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-nitropyridine-3-carbonyl chloride is sourced from PubChem (CID 54297365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).