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

C21H16ClFN2O — CID 58200444

IUPAC2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole
SMILESCOc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1
InChIInChI=1S/C21H16ClFN2O/c1-12-8-20(26-2)24-11-15(12)13-6-7-18-14(9-13)10-19(25-18)21-16(22)4-3-5-17(21)23/h3-11,25H,1-2H3
InChIKeyYOYNTQBXBJRXTL-UHFFFAOYSA-N
MW366.82 g/mol
LogP6.01
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole (PubChem CID 58200444) has the molecular formula C21H16ClFN2O and a molecular weight of 366.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole
PubChem CID58200444
Molecular FormulaC21H16ClFN2O
Molecular Weight366.82 g/mol
Exact Mass366.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole
SMILESCOc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1
InChIInChI=1S/C21H16ClFN2O/c1-12-8-20(26-2)24-11-15(12)13-6-7-18-14(9-13)10-19(25-18)21-16(22)4-3-5-17(21)23/h3-11,25H,1-2H3
InChIKeyYOYNTQBXBJRXTL-UHFFFAOYSA-N
XLogP6.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.82
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole (CID 58200444) is 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole is COc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole?
The InChIKey is YOYNTQBXBJRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O/c1-12-8-20(26-2)24-11-15(12)13-6-7-18-14(9-13)10-19(25-18)21-16(22)4-3-5-17(21)23/h3-11,25H,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole?
2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole has a molecular weight of 366.82 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 58200444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).