(2,6-dichloro-4-pyridinyl)methyl formate

C7H5Cl2NO2 — CID 87852501

IUPAC(2,6-dichloro-4-pyridinyl)methyl formate
SMILESO=COCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H5Cl2NO2/c8-6-1-5(3-12-4-11)2-7(9)10-6/h1-2,4H,3H2
InChIKeyULPDZVGDYXFODM-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.06
Rot. Bonds3

About (2,6-dichloro-4-pyridinyl)methyl formate

(2,6-dichloro-4-pyridinyl)methyl formate (PubChem CID 87852501) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)methyl formate.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)methyl formate
PubChem CID87852501
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name(2,6-dichloro-4-pyridinyl)methyl formate
SMILESO=COCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H5Cl2NO2/c8-6-1-5(3-12-4-11)2-7(9)10-6/h1-2,4H,3H2
InChIKeyULPDZVGDYXFODM-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.06
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'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)methyl formate?
The IUPAC name of (2,6-dichloro-4-pyridinyl)methyl formate (CID 87852501) is (2,6-dichloro-4-pyridinyl)methyl formate.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)methyl formate?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)methyl formate is O=COCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)methyl formate?
The InChIKey is ULPDZVGDYXFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-6-1-5(3-12-4-11)2-7(9)10-6/h1-2,4H,3H2.
What are the key properties of (2,6-dichloro-4-pyridinyl)methyl formate?
(2,6-dichloro-4-pyridinyl)methyl formate has a molecular weight of 206.03 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)methyl formate is sourced from PubChem (CID 87852501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).