(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone

C11H6Cl2N2O — CID 154508101

IUPAC(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N2O/c12-7-2-3-8(9(13)6-7)10(16)11-14-4-1-5-15-11/h1-6H
InChIKeyJEYURDMOKQXXGA-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.01
Rot. Bonds2

About (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone

(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone (PubChem CID 154508101) has the molecular formula C11H6Cl2N2O and a molecular weight of 253.09 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
PubChem CID154508101
Molecular FormulaC11H6Cl2N2O
Molecular Weight253.09 g/mol
Exact Mass251.99
IUPAC Name(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N2O/c12-7-2-3-8(9(13)6-7)10(16)11-14-4-1-5-15-11/h1-6H
InChIKeyJEYURDMOKQXXGA-UHFFFAOYSA-N
XLogP3.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
(E)-1-(2,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 27191231
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(2,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 16638529
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone?
The IUPAC name of (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone (CID 154508101) is (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone?
The InChIKey is JEYURDMOKQXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O/c12-7-2-3-8(9(13)6-7)10(16)11-14-4-1-5-15-11/h1-6H.
What are the key properties of (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone?
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone has a molecular weight of 253.09 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 154508101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).