(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone

C15H13Cl2NO2 — CID 115793950

IUPAC(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-2-6-20-11-7-10(8-18-9-11)15(19)12-4-3-5-13(16)14(12)17/h3-5,7-9H,2,6H2,1H3
InChIKeyHIUYWSHETTUQDB-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.41
Rot. Bonds5

About (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone

(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 115793950) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID115793950
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-2-6-20-11-7-10(8-18-9-11)15(19)12-4-3-5-13(16)14(12)17/h3-5,7-9H,2,6H2,1H3
InChIKeyHIUYWSHETTUQDB-UHFFFAOYSA-N
XLogP4.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone (CID 115793950) is (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is HIUYWSHETTUQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-2-6-20-11-7-10(8-18-9-11)15(19)12-4-3-5-13(16)14(12)17/h3-5,7-9H,2,6H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 310.18 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).