3-chloro-5-nitropyridine-2-carbaldehyde

C6H3ClN2O3 — CID 19010906

IUPAC3-chloro-5-nitropyridine-2-carbaldehyde
SMILESO=Cc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H3ClN2O3/c7-5-1-4(9(11)12)2-8-6(5)3-10/h1-3H
InChIKeyJHZABTLKWJQLTR-UHFFFAOYSA-N
MW186.55 g/mol
LogP1.46
Rot. Bonds2

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

3-chloro-5-nitropyridine-2-carbaldehyde (PubChem CID 19010906) has the molecular formula C6H3ClN2O3 and a molecular weight of 186.55 g/mol. Its IUPAC name is 3-chloro-5-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-nitropyridine-2-carbaldehyde
PubChem CID19010906
Molecular FormulaC6H3ClN2O3
Molecular Weight186.55 g/mol
Exact Mass185.98
IUPAC Name3-chloro-5-nitropyridine-2-carbaldehyde
SMILESO=Cc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H3ClN2O3/c7-5-1-4(9(11)12)2-8-6(5)3-10/h1-3H
InChIKeyJHZABTLKWJQLTR-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': '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-5-nitropyridine-3-carbaldehyde
CID 88905670
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol
CID 156566047
ethyl (Z)-3-(2-formyl-5-nitro-3-pyridinyl)-3-hydroxyprop-2-enoate
CID 126603400
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
CID 169161773
5-nitro-2,3-bis(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134617551
5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
CID 130097976
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
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitropyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-nitropyridine-2-carbaldehyde (CID 19010906) is 3-chloro-5-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-nitropyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-nitropyridine-2-carbaldehyde is O=Cc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-5-nitropyridine-2-carbaldehyde?
The InChIKey is JHZABTLKWJQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O3/c7-5-1-4(9(11)12)2-8-6(5)3-10/h1-3H.
What are the key properties of 3-chloro-5-nitropyridine-2-carbaldehyde?
3-chloro-5-nitropyridine-2-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 3-chloro-5-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 19010906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).