chloromethyl 6-chloropyridine-3-carboxylate

C7H5Cl2NO2 — CID 22459863

IUPACchloromethyl 6-chloropyridine-3-carboxylate
SMILESO=C(OCCl)c1ccc(Cl)nc1
InChIInChI=1S/C7H5Cl2NO2/c8-4-12-7(11)5-1-2-6(9)10-3-5/h1-3H,4H2
InChIKeyVOARYSUPQHNWSQ-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.09
Rot. Bonds2

About chloromethyl 6-chloropyridine-3-carboxylate

chloromethyl 6-chloropyridine-3-carboxylate (PubChem CID 22459863) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is chloromethyl 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Namechloromethyl 6-chloropyridine-3-carboxylate
PubChem CID22459863
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Namechloromethyl 6-chloropyridine-3-carboxylate
SMILESO=C(OCCl)c1ccc(Cl)nc1
InChIInChI=1S/C7H5Cl2NO2/c8-4-12-7(11)5-1-2-6(9)10-3-5/h1-3H,4H2
InChIKeyVOARYSUPQHNWSQ-UHFFFAOYSA-N
XLogP2.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl 6-chloropyridine-3-carboxylate?
The IUPAC name of chloromethyl 6-chloropyridine-3-carboxylate (CID 22459863) is chloromethyl 6-chloropyridine-3-carboxylate.
What is the SMILES notation for chloromethyl 6-chloropyridine-3-carboxylate?
The canonical SMILES for chloromethyl 6-chloropyridine-3-carboxylate is O=C(OCCl)c1ccc(Cl)nc1.
What is the InChIKey of chloromethyl 6-chloropyridine-3-carboxylate?
The InChIKey is VOARYSUPQHNWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-4-12-7(11)5-1-2-6(9)10-3-5/h1-3H,4H2.
What are the key properties of chloromethyl 6-chloropyridine-3-carboxylate?
chloromethyl 6-chloropyridine-3-carboxylate has a molecular weight of 206.03 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 22459863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).