(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone

C13H9Cl2NO — CID 58565891

IUPAC(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)nc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO/c1-8-2-4-9(5-3-8)12(17)10-6-7-11(14)16-13(10)15/h2-7H,1H3
InChIKeyCHGGWWPZBKKBKV-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.93
Rot. Bonds2

About (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone

(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone (PubChem CID 58565891) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
PubChem CID58565891
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)nc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO/c1-8-2-4-9(5-3-8)12(17)10-6-7-11(14)16-13(10)15/h2-7H,1H3
InChIKeyCHGGWWPZBKKBKV-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone (CID 58565891) is (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)nc2Cl)cc1.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone?
The InChIKey is CHGGWWPZBKKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c1-8-2-4-9(5-3-8)12(17)10-6-7-11(14)16-13(10)15/h2-7H,1H3.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone?
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone has a molecular weight of 266.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 58565891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).