4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione

C15H10ClNO2 — CID 134123408

IUPAC4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione
SMILESCc1cc(C2C(=O)c3cccc(Cl)c3C2=O)ccn1
InChIInChI=1S/C15H10ClNO2/c1-8-7-9(5-6-17-8)12-14(18)10-3-2-4-11(16)13(10)15(12)19/h2-7,12H,1H3
InChIKeyHLZHPWFMRNXRMX-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.21
Rot. Bonds1

About 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione

4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione (PubChem CID 134123408) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione.

Molecular Properties

Compound Name4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione
PubChem CID134123408
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione
SMILESCc1cc(C2C(=O)c3cccc(Cl)c3C2=O)ccn1
InChIInChI=1S/C15H10ClNO2/c1-8-7-9(5-6-17-8)12-14(18)10-3-2-4-11(16)13(10)15(12)19/h2-7,12H,1H3
InChIKeyHLZHPWFMRNXRMX-UHFFFAOYSA-N
XLogP3.21
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione?
The IUPAC name of 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione (CID 134123408) is 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione.
What is the SMILES notation for 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione?
The canonical SMILES for 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione is Cc1cc(C2C(=O)c3cccc(Cl)c3C2=O)ccn1.
What is the InChIKey of 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione?
The InChIKey is HLZHPWFMRNXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-8-7-9(5-6-17-8)12-14(18)10-3-2-4-11(16)13(10)15(12)19/h2-7,12H,1H3.
What are the key properties of 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione?
4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione has a molecular weight of 271.70 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyl-4-pyridinyl)indene-1,3-dione is sourced from PubChem (CID 134123408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).