2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole

C20H13Cl2FN2 — CID 58200519

IUPAC2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole
SMILESCc1cc(Cl)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C20H13Cl2FN2/c1-11-7-19(22)24-10-14(11)12-5-6-17-13(8-12)9-18(25-17)20-15(21)3-2-4-16(20)23/h2-10,25H,1H3
InChIKeyCAKMDENXRMIGBF-UHFFFAOYSA-N
MW371.24 g/mol
LogP6.65
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole

2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole (PubChem CID 58200519) has the molecular formula C20H13Cl2FN2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole
PubChem CID58200519
Molecular FormulaC20H13Cl2FN2
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole
SMILESCc1cc(Cl)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C20H13Cl2FN2/c1-11-7-19(22)24-10-14(11)12-5-6-17-13(8-12)9-18(25-17)20-15(21)3-2-4-16(20)23/h2-10,25H,1H3
InChIKeyCAKMDENXRMIGBF-UHFFFAOYSA-N
XLogP6.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.24
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole (CID 58200519) is 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole is Cc1cc(Cl)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
The InChIKey is CAKMDENXRMIGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2/c1-11-7-19(22)24-10-14(11)12-5-6-17-13(8-12)9-18(25-17)20-15(21)3-2-4-16(20)23/h2-10,25H,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole has a molecular weight of 371.24 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 58200519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).