2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one

C17H18Cl2N2O — CID 150348366

IUPAC2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one
SMILESCc1ccc(C(C)C(=O)C(C)c2ccc(C)c(Cl)n2)nc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-9-5-7-13(20-16(9)18)11(3)15(22)12(4)14-8-6-10(2)17(19)21-14/h5-8,11-12H,1-4H3
InChIKeyGTEZARUDWQFBGT-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.88
Rot. Bonds4

About 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one

2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one (PubChem CID 150348366) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one
PubChem CID150348366
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one
SMILESCc1ccc(C(C)C(=O)C(C)c2ccc(C)c(Cl)n2)nc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-9-5-7-13(20-16(9)18)11(3)15(22)12(4)14-8-6-10(2)17(19)21-14/h5-8,11-12H,1-4H3
InChIKeyGTEZARUDWQFBGT-UHFFFAOYSA-N
XLogP4.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-5-methyl-2-pyridinyl)propanal
CID 174490333
2-chloro-6-(6-chloro-5-methyl-2-pyridinyl)-3-methylpyridine
CID 25228536
2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
CID 83880579
6-chloro-5-methylpyridine-2-carboxylate
CID 86307348
2,6-dichloro-3-methylpyridine
CID 817088
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
6-chloro-N,5-dimethylpyridine-2-carboxamide;ethane
CID 170981052
2-chloro-6-propan-2-ylpyridine-3-carboxamide
CID 155465069
2,6-dichloro-3-methylpyridine;hydrochloride
CID 45382145
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83880440
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one?
The IUPAC name of 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one (CID 150348366) is 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one.
What is the SMILES notation for 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one?
The canonical SMILES for 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one is Cc1ccc(C(C)C(=O)C(C)c2ccc(C)c(Cl)n2)nc1Cl.
What is the InChIKey of 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one?
The InChIKey is GTEZARUDWQFBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-9-5-7-13(20-16(9)18)11(3)15(22)12(4)14-8-6-10(2)17(19)21-14/h5-8,11-12H,1-4H3.
What are the key properties of 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one?
2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one has a molecular weight of 337.25 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one is sourced from PubChem (CID 150348366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).