6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde

C6H5ClFNO — CID 91903174

IUPAC6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde
SMILESO=CC1(F)C=CC(Cl)=NC1
InChIInChI=1S/C6H5ClFNO/c7-5-1-2-6(8,4-10)3-9-5/h1-2,4H,3H2
InChIKeyHPMMUQRHBSJEQL-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.10
Rot. Bonds1

About 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde

6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde (PubChem CID 91903174) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde
PubChem CID91903174
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde
SMILESO=CC1(F)C=CC(Cl)=NC1
InChIInChI=1S/C6H5ClFNO/c7-5-1-2-6(8,4-10)3-9-5/h1-2,4H,3H2
InChIKeyHPMMUQRHBSJEQL-UHFFFAOYSA-N
XLogP1.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde (CID 91903174) is 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde is O=CC1(F)C=CC(Cl)=NC1.
What is the InChIKey of 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde?
The InChIKey is HPMMUQRHBSJEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-5-1-2-6(8,4-10)3-9-5/h1-2,4H,3H2.
What are the key properties of 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde?
6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde has a molecular weight of 161.56 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 91903174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).