2-chloro-5-nitropyridine-3-carbaldehyde

C6H3ClN2O3 — CID 88905670

IUPAC2-chloro-5-nitropyridine-3-carbaldehyde
SMILESO=Cc1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C6H3ClN2O3/c7-6-4(3-10)1-5(2-8-6)9(11)12/h1-3H
InChIKeyQBDOEONOFLGQLS-UHFFFAOYSA-N
MW186.55 g/mol
LogP1.46
Rot. Bonds2

About 2-chloro-5-nitropyridine-3-carbaldehyde

2-chloro-5-nitropyridine-3-carbaldehyde (PubChem CID 88905670) has the molecular formula C6H3ClN2O3 and a molecular weight of 186.55 g/mol. Its IUPAC name is 2-chloro-5-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-nitropyridine-3-carbaldehyde
PubChem CID88905670
Molecular FormulaC6H3ClN2O3
Molecular Weight186.55 g/mol
Exact Mass185.98
IUPAC Name2-chloro-5-nitropyridine-3-carbaldehyde
SMILESO=Cc1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C6H3ClN2O3/c7-6-4(3-10)1-5(2-8-6)9(11)12/h1-3H
InChIKeyQBDOEONOFLGQLS-UHFFFAOYSA-N
XLogP1.46
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.55
LogP ≤ 51.46
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-chloro-3-(4-chlorobut-1-enyl)-5-nitropyridine
CID 170499473
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314
2-chloro-3-ethyl-5-nitropyridine
CID 86657225
2-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
ethyl 3-(2-chloro-5-nitro-3-pyridinyl)prop-2-enoate
CID 169480605
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-(4-chloropyrazol-1-yl)-5-nitrobenzaldehyde
CID 54909354
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
3-(3-chloroprop-1-enyl)-2-methyl-5-nitropyridine
CID 169477652
2-(4-chloroanilino)-5-nitrobenzaldehyde
CID 12858732
3-methanimidoyl-5-nitropyridin-2-amine
CID 143860355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitropyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-5-nitropyridine-3-carbaldehyde (CID 88905670) is 2-chloro-5-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-nitropyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-nitropyridine-3-carbaldehyde is O=Cc1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-5-nitropyridine-3-carbaldehyde?
The InChIKey is QBDOEONOFLGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O3/c7-6-4(3-10)1-5(2-8-6)9(11)12/h1-3H.
What are the key properties of 2-chloro-5-nitropyridine-3-carbaldehyde?
2-chloro-5-nitropyridine-3-carbaldehyde has a molecular weight of 186.55 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 88905670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).