(2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate

C13H8Cl2FNO2 — CID 2429893

IUPAC(2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1c(F)cccc1Cl)c1cccnc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-10-4-1-5-11(16)9(10)7-19-13(18)8-3-2-6-17-12(8)15/h1-6H,7H2
InChIKeyPAUPZADMFPLGDX-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.88
Rot. Bonds3

About (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate

(2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate (PubChem CID 2429893) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
PubChem CID2429893
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1c(F)cccc1Cl)c1cccnc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-10-4-1-5-11(16)9(10)7-19-13(18)8-3-2-6-17-12(8)15/h1-6H,7H2
InChIKeyPAUPZADMFPLGDX-UHFFFAOYSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate (CID 2429893) is (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate is O=C(OCc1c(F)cccc1Cl)c1cccnc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
The InChIKey is PAUPZADMFPLGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-10-4-1-5-11(16)9(10)7-19-13(18)8-3-2-6-17-12(8)15/h1-6H,7H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
(2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate has a molecular weight of 300.12 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2429893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).