6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde

C12H6Cl2N2O3 — CID 134238267

IUPAC6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Cl)nc1-c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2N2O3/c13-8-2-3-10(16(18)19)9(5-8)12-7(6-17)1-4-11(14)15-12/h1-6H
InChIKeyKYYMBJSDNGDOQM-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.78
Rot. Bonds3

About 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde

6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde (PubChem CID 134238267) has the molecular formula C12H6Cl2N2O3 and a molecular weight of 297.10 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde
PubChem CID134238267
Molecular FormulaC12H6Cl2N2O3
Molecular Weight297.10 g/mol
Exact Mass295.98
IUPAC Name6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Cl)nc1-c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2N2O3/c13-8-2-3-10(16(18)19)9(5-8)12-7(6-17)1-4-11(14)15-12/h1-6H
InChIKeyKYYMBJSDNGDOQM-UHFFFAOYSA-N
XLogP3.78
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
6-chloro-2-(3,4-difluorophenyl)-3-nitropyridine
CID 79072868
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
CID 43260475
6-chloro-2-iodo-3-nitropyridine
CID 130882718
2-chloro-10-nitrophenanthridine-6-carbaldehyde
CID 174429205
6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 115502582
5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde
CID 176548411
CID 58762875
CID 58762875
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde (CID 134238267) is 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(Cl)nc1-c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde?
The InChIKey is KYYMBJSDNGDOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O3/c13-8-2-3-10(16(18)19)9(5-8)12-7(6-17)1-4-11(14)15-12/h1-6H.
What are the key properties of 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde?
6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde has a molecular weight of 297.10 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134238267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).