2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole

C14H11Cl3N2 — CID 102749863

IUPAC2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2/c1-8-6-9-4-2-3-5-12(9)19(8)14-11(16)7-10(15)13(17)18-14/h2-5,7-8H,6H2,1H3
InChIKeyHDVGMCJZEVIDEO-UHFFFAOYSA-N
MW313.62 g/mol
LogP5.12
Rot. Bonds1

About 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole

2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole (PubChem CID 102749863) has the molecular formula C14H11Cl3N2 and a molecular weight of 313.62 g/mol. Its IUPAC name is 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
PubChem CID102749863
Molecular FormulaC14H11Cl3N2
Molecular Weight313.62 g/mol
Exact Mass312.00
IUPAC Name2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2/c1-8-6-9-4-2-3-5-12(9)19(8)14-11(16)7-10(15)13(17)18-14/h2-5,7-8H,6H2,1H3
InChIKeyHDVGMCJZEVIDEO-UHFFFAOYSA-N
XLogP5.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.62
LogP ≤ 55.12
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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Related Compounds

1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
CID 81037118
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
3-(2-methyl-2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985070
4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687417
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-imidazol-5-amine
CID 55012468
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole (CID 102749863) is 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole is CC1Cc2ccccc2N1c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole?
The InChIKey is HDVGMCJZEVIDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2/c1-8-6-9-4-2-3-5-12(9)19(8)14-11(16)7-10(15)13(17)18-14/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole?
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole has a molecular weight of 313.62 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole is sourced from PubChem (CID 102749863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).