2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde

C7H4ClF2NO2 — CID 119008832

IUPAC2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(OC(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-6-4(3-12)1-5(2-11-6)13-7(9)10/h1-3,7H
InChIKeyZLHJPQGVMRNONF-UHFFFAOYSA-N
MW207.56 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde

2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 119008832) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
PubChem CID119008832
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(OC(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-6-4(3-12)1-5(2-11-6)13-7(9)10/h1-3,7H
InChIKeyZLHJPQGVMRNONF-UHFFFAOYSA-N
XLogP2.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
5-(difluoromethoxy)-3-hydroxyphthalaldehyde
CID 171027840
5-(difluoromethoxy)-2,3-difluoropyridine
CID 130925292
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
5-(difluoromethoxy)-2,3-dimethylpyridine
CID 130882921
N-(2-chloro-5-formyl-3-pyridinyl)-3-(difluoromethoxy)benzenesulfonamide
CID 151758566
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
CID 171002242
7-(difluoromethoxy)-1H-1,5-naphthyridin-2-one
CID 130303543
2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine
CID 118813907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde (CID 119008832) is 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cc(OC(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is ZLHJPQGVMRNONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-6-4(3-12)1-5(2-11-6)13-7(9)10/h1-3,7H.
What are the key properties of 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde?
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 207.56 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 119008832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).