3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide

C15H11ClFN3O — CID 163389669

IUPAC3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1cc(-c2ccc(Cl)c(F)c2)c2ccc(C(N)=O)nc21
InChIInChI=1S/C15H11ClFN3O/c1-20-7-10(8-2-4-11(16)12(17)6-8)9-3-5-13(14(18)21)19-15(9)20/h2-7H,1H3,(H2,18,21)
InChIKeyHZCCGYRTQPUQNJ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.13
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide

3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 163389669) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID163389669
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1cc(-c2ccc(Cl)c(F)c2)c2ccc(C(N)=O)nc21
InChIInChI=1S/C15H11ClFN3O/c1-20-7-10(8-2-4-11(16)12(17)6-8)9-3-5-13(14(18)21)19-15(9)20/h2-7H,1H3,(H2,18,21)
InChIKeyHZCCGYRTQPUQNJ-UHFFFAOYSA-N
XLogP3.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 163389669) is 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide is Cn1cc(-c2ccc(Cl)c(F)c2)c2ccc(C(N)=O)nc21.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is HZCCGYRTQPUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-20-7-10(8-2-4-11(16)12(17)6-8)9-3-5-13(14(18)21)19-15(9)20/h2-7H,1H3,(H2,18,21).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163389669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).