2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde

C7H4ClF2NO2 — CID 131167977

IUPAC2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)ncc1OC(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-6-1-4(3-12)5(2-11-6)13-7(9)10/h1-3,7H
InChIKeyYAJODUAUVISPOK-UHFFFAOYSA-N
MW207.56 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde

2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 131167977) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
PubChem CID131167977
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)ncc1OC(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-6-1-4(3-12)5(2-11-6)13-7(9)10/h1-3,7H
InChIKeyYAJODUAUVISPOK-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'}

Analyze 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde
CID 154575009
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
4-(difluoromethoxy)-5-(trifluoromethyl)phthalaldehyde
CID 171026121
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 171058233
5-amino-2-(difluoromethoxy)benzaldehyde
CID 143711565
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde (CID 131167977) is 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde is O=Cc1cc(Cl)ncc1OC(F)F.
What is the InChIKey of 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is YAJODUAUVISPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-6-1-4(3-12)5(2-11-6)13-7(9)10/h1-3,7H.
What are the key properties of 2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde?
2-chloro-5-(difluoromethoxy)pyridine-4-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-4-carbaldehyde is sourced from PubChem (CID 131167977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).