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

C20H12ClF4N3 — CID 90184909

IUPAC2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(C(F)(F)F)ncc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C20H12ClF4N3/c1-10-5-17(20(23,24)25)26-9-13(10)12-6-11-7-16(28-19(11)27-8-12)18-14(21)3-2-4-15(18)22/h2-9H,1H3,(H,27,28)
InChIKeyRNYAXZNOXMYGSC-UHFFFAOYSA-N
MW405.78 g/mol
LogP6.41
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90184909) has the molecular formula C20H12ClF4N3 and a molecular weight of 405.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID90184909
Molecular FormulaC20H12ClF4N3
Molecular Weight405.78 g/mol
Exact Mass405.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(C(F)(F)F)ncc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C20H12ClF4N3/c1-10-5-17(20(23,24)25)26-9-13(10)12-6-11-7-16(28-19(11)27-8-12)18-14(21)3-2-4-15(18)22/h2-9H,1H3,(H,27,28)
InChIKeyRNYAXZNOXMYGSC-UHFFFAOYSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.78
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (CID 90184909) is 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is Cc1cc(C(F)(F)F)ncc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RNYAXZNOXMYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3/c1-10-5-17(20(23,24)25)26-9-13(10)12-6-11-7-16(28-19(11)27-8-12)18-14(21)3-2-4-15(18)22/h2-9H,1H3,(H,27,28).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
2-(2-chloro-6-fluorophenyl)-5-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 405.78 g/mol, XLogP of 6.41, 2 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-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90184909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).