2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde

C7H3ClF2N2O3 — CID 118999855

IUPAC2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
SMILESO=Cc1c([N+](=O)[O-])cc(C(F)F)nc1Cl
InChIInChI=1S/C7H3ClF2N2O3/c8-6-3(2-13)5(12(14)15)1-4(11-6)7(9)10/h1-2,7H
InChIKeyBKPSSUQOKZEZEU-UHFFFAOYSA-N
MW236.56 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde

2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde (PubChem CID 118999855) has the molecular formula C7H3ClF2N2O3 and a molecular weight of 236.56 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
PubChem CID118999855
Molecular FormulaC7H3ClF2N2O3
Molecular Weight236.56 g/mol
Exact Mass235.98
IUPAC Name2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
SMILESO=Cc1c([N+](=O)[O-])cc(C(F)F)nc1Cl
InChIInChI=1S/C7H3ClF2N2O3/c8-6-3(2-13)5(12(14)15)1-4(11-6)7(9)10/h1-2,7H
InChIKeyBKPSSUQOKZEZEU-UHFFFAOYSA-N
XLogP2.39
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.56
LogP ≤ 52.39
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

6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
CID 119021689
5-(difluoromethyl)-2-formyl-3-nitrobenzenesulfonyl chloride
CID 172969737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde (CID 118999855) is 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde is O=Cc1c([N+](=O)[O-])cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde?
The InChIKey is BKPSSUQOKZEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O3/c8-6-3(2-13)5(12(14)15)1-4(11-6)7(9)10/h1-2,7H.
What are the key properties of 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde?
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde has a molecular weight of 236.56 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 118999855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).