(2,6-dichlorophenyl)methyl pyridine-3-carboxylate

C13H9Cl2NO2 — CID 976284

IUPAC(2,6-dichlorophenyl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1cccnc1
InChIInChI=1S/C13H9Cl2NO2/c14-11-4-1-5-12(15)10(11)8-18-13(17)9-3-2-6-16-7-9/h1-7H,8H2
InChIKeyUSTNFWOTUMUQQV-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.75
Rot. Bonds3

About (2,6-dichlorophenyl)methyl pyridine-3-carboxylate

(2,6-dichlorophenyl)methyl pyridine-3-carboxylate (PubChem CID 976284) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl pyridine-3-carboxylate
PubChem CID976284
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(2,6-dichlorophenyl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1cccnc1
InChIInChI=1S/C13H9Cl2NO2/c14-11-4-1-5-12(15)10(11)8-18-13(17)9-3-2-6-16-7-9/h1-7H,8H2
InChIKeyUSTNFWOTUMUQQV-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl pyridine-3-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl pyridine-3-carboxylate (CID 976284) is (2,6-dichlorophenyl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl pyridine-3-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl pyridine-3-carboxylate is O=C(OCc1c(Cl)cccc1Cl)c1cccnc1.
What is the InChIKey of (2,6-dichlorophenyl)methyl pyridine-3-carboxylate?
The InChIKey is USTNFWOTUMUQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-11-4-1-5-12(15)10(11)8-18-13(17)9-3-2-6-16-7-9/h1-7H,8H2.
What are the key properties of (2,6-dichlorophenyl)methyl pyridine-3-carboxylate?
(2,6-dichlorophenyl)methyl pyridine-3-carboxylate has a molecular weight of 282.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 976284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).