2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C20H15ClFN3O — CID 75202944

IUPAC2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(C)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1
InChIInChI=1S/C20H15ClFN3O/c1-11-6-18(26-2)23-10-14(11)13-7-12-8-17(25-20(12)24-9-13)19-15(21)4-3-5-16(19)22/h3-10H,1-2H3,(H,24,25)
InChIKeyLKTNVFPJFKZIFM-UHFFFAOYSA-N
MW367.81 g/mol
LogP5.40
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 75202944) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID75202944
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(C)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1
InChIInChI=1S/C20H15ClFN3O/c1-11-6-18(26-2)23-10-14(11)13-7-12-8-17(25-20(12)24-9-13)19-15(21)4-3-5-16(19)22/h3-10H,1-2H3,(H,24,25)
InChIKeyLKTNVFPJFKZIFM-UHFFFAOYSA-N
XLogP5.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.81
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 75202944) is 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(C)c(-c2cnc3[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-pyrrolo[2,3-b]pyridine?
The InChIKey is LKTNVFPJFKZIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-11-6-18(26-2)23-10-14(11)13-7-12-8-17(25-20(12)24-9-13)19-15(21)4-3-5-16(19)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 367.81 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 75202944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).