1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione

C16H13ClN2O2 — CID 61355070

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)nc1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-10(2)14-12(6-9)15(20)16(21)19(14)8-11-3-4-13(17)18-7-11/h3-7H,8H2,1-2H3
InChIKeyXPCASFZGJXZFHU-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.08
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione

1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione (PubChem CID 61355070) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione
PubChem CID61355070
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)nc1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-10(2)14-12(6-9)15(20)16(21)19(14)8-11-3-4-13(17)18-7-11/h3-7H,8H2,1-2H3
InChIKeyXPCASFZGJXZFHU-UHFFFAOYSA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione
CID 61356226
5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
CID 61355905
1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
CID 18071807
1-[(6-chloro-3-pyridinyl)methyl]-6-methoxyindole-2,3-dione
CID 61356241
5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61356229
1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-5,7-dimethylindole-2,3-dione
CID 22696472
1-[(5-bromothiophen-2-yl)methyl]-5,7-dimethylindole-2,3-dione
CID 61354745
5-bromo-7-methyl-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 18807601
5-bromo-7-methyl-1-(1,2-oxazol-4-ylmethyl)indole-2,3-dione
CID 61357118
1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
CID 61356665
3-(5,7-dimethyl-2,3-dioxoindol-1-yl)propanal
CID 63040019
5-bromo-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-methylindole-2,3-dione
CID 79764352

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione (CID 61355070) is 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione is Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione?
The InChIKey is XPCASFZGJXZFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-5-10(2)14-12(6-9)15(20)16(21)19(14)8-11-3-4-13(17)18-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione?
1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione has a molecular weight of 300.75 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-5,7-dimethylindole-2,3-dione is sourced from PubChem (CID 61355070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).