(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone

C11H7Cl2N3O — CID 118997236

IUPAC(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C11H7Cl2N3O/c1-6-7(3-2-4-14-6)9(17)8-10(12)15-5-16-11(8)13/h2-5H,1H3
InChIKeyMOQUCAPOGBXEGO-UHFFFAOYSA-N
MW268.10 g/mol
LogP2.72
Rot. Bonds2

About (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone

(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone (PubChem CID 118997236) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
PubChem CID118997236
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC Name(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C11H7Cl2N3O/c1-6-7(3-2-4-14-6)9(17)8-10(12)15-5-16-11(8)13/h2-5H,1H3
InChIKeyMOQUCAPOGBXEGO-UHFFFAOYSA-N
XLogP2.72
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
CID 105097019
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone (CID 118997236) is (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1c(Cl)ncnc1Cl.
What is the InChIKey of (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone?
The InChIKey is MOQUCAPOGBXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c1-6-7(3-2-4-14-6)9(17)8-10(12)15-5-16-11(8)13/h2-5H,1H3.
What are the key properties of (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone?
(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone has a molecular weight of 268.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 118997236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).