(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone

C14H11Cl2NO — CID 107502317

IUPAC(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cccc(Cl)c2Cl)cc(C)n1
InChIInChI=1S/C14H11Cl2NO/c1-8-6-10(7-9(2)17-8)14(18)11-4-3-5-12(15)13(11)16/h3-7H,1-2H3
InChIKeyYQGXXENPVQQHHG-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.24
Rot. Bonds2

About (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone

(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone (PubChem CID 107502317) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
PubChem CID107502317
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cccc(Cl)c2Cl)cc(C)n1
InChIInChI=1S/C14H11Cl2NO/c1-8-6-10(7-9(2)17-8)14(18)11-4-3-5-12(15)13(11)16/h3-7H,1-2H3
InChIKeyYQGXXENPVQQHHG-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone (CID 107502317) is (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone is Cc1cc(C(=O)c2cccc(Cl)c2Cl)cc(C)n1.
What is the InChIKey of (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone?
The InChIKey is YQGXXENPVQQHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-8-6-10(7-9(2)17-8)14(18)11-4-3-5-12(15)13(11)16/h3-7H,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone?
(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone has a molecular weight of 280.15 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 107502317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).