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

C7H4ClF2NO2 — CID 130779479

IUPAC4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nccc(Cl)c1OC(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-4-1-2-11-5(3-12)6(4)13-7(9)10/h1-3,7H
InChIKeyHAVYVKDGPGFIKH-UHFFFAOYSA-N
MW207.56 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde

4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 130779479) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde
PubChem CID130779479
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nccc(Cl)c1OC(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-4-1-2-11-5(3-12)6(4)13-7(9)10/h1-3,7H
InChIKeyHAVYVKDGPGFIKH-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde (CID 130779479) is 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde is O=Cc1nccc(Cl)c1OC(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is HAVYVKDGPGFIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-4-1-2-11-5(3-12)6(4)13-7(9)10/h1-3,7H.
What are the key properties of 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde?
4-chloro-3-(difluoromethoxy)pyridine-2-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 4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 130779479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).