(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate

C14H11Cl2NO2 — CID 569567

IUPAC(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate
SMILESCc1nc(C)c(Cl)c(OC(=O)c2ccccc2)c1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-8-11(15)13(12(16)9(2)17-8)19-14(18)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyXYUHGVRLJXVULW-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.22
Rot. Bonds2

About (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate

(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate (PubChem CID 569567) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate.

Molecular Properties

Compound Name(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate
PubChem CID569567
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate
SMILESCc1nc(C)c(Cl)c(OC(=O)c2ccccc2)c1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-8-11(15)13(12(16)9(2)17-8)19-14(18)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyXYUHGVRLJXVULW-UHFFFAOYSA-N
XLogP4.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3,4,5,6-pentachlorophenyl) benzoate
CID 5088256
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169
(2,4-dichloro-3,5,6-trifluorophenyl) benzoate
CID 101075764
(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl) benzoate
CID 23741616
(2-methyl-4,5-diphenacyl-3-pyridinyl) benzoate
CID 3475859
(2,3-dichloro-5,6-dicyano-4-hydroxyphenyl) benzoate
CID 90349965
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
chloro acetate;chloro benzoate
CID 68991315
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(10,15,20-tribenzoyloxy-21,23-dihydroporphyrin-5-yl) benzoate
CID 136908142
(2-bromo-4,6-dichlorophenyl) benzoate
CID 23010908

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate?
The IUPAC name of (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate (CID 569567) is (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate.
What is the SMILES notation for (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate?
The canonical SMILES for (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate is Cc1nc(C)c(Cl)c(OC(=O)c2ccccc2)c1Cl.
What is the InChIKey of (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate?
The InChIKey is XYUHGVRLJXVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-11(15)13(12(16)9(2)17-8)19-14(18)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate?
(3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate has a molecular weight of 296.15 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2,6-dimethyl-4-pyridinyl) benzoate is sourced from PubChem (CID 569567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).