(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone

C15H11Cl2NO2 — CID 114518915

IUPAC(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO2/c16-10-7-13(17)14(18-8-10)15(19)9-1-3-11(4-2-9)20-12-5-6-12/h1-4,7-8,12H,5-6H2
InChIKeyWORBGUPFILWPBH-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.16
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone

(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone (PubChem CID 114518915) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
PubChem CID114518915
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO2/c16-10-7-13(17)14(18-8-10)15(19)9-1-3-11(4-2-9)20-12-5-6-12/h1-4,7-8,12H,5-6H2
InChIKeyWORBGUPFILWPBH-UHFFFAOYSA-N
XLogP4.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520685
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 114518914
(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
CID 79787017
cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
CID 79786695
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812876
(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579287
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide
CID 170622621
2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518830
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone (CID 114518915) is (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone is O=C(c1ccc(OC2CC2)cc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone?
The InChIKey is WORBGUPFILWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-10-7-13(17)14(18-8-10)15(19)9-1-3-11(4-2-9)20-12-5-6-12/h1-4,7-8,12H,5-6H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone?
(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone has a molecular weight of 308.16 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone is sourced from PubChem (CID 114518915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).