4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C14H9ClFN3O — CID 11983906

IUPAC4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]c(-c3ccc(F)cc3)cc2c1Cl
InChIInChI=1S/C14H9ClFN3O/c15-12-9-5-11(7-1-3-8(16)4-2-7)19-14(9)18-6-10(12)13(17)20/h1-6H,(H2,17,20)(H,18,19)
InChIKeyGIOUMGOVSZWJRC-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.12
Rot. Bonds2

About 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 11983906) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID11983906
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]c(-c3ccc(F)cc3)cc2c1Cl
InChIInChI=1S/C14H9ClFN3O/c15-12-9-5-11(7-1-3-8(16)4-2-7)19-14(9)18-6-10(12)13(17)20/h1-6H,(H2,17,20)(H,18,19)
InChIKeyGIOUMGOVSZWJRC-UHFFFAOYSA-N
XLogP3.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 11983906) is 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]c(-c3ccc(F)cc3)cc2c1Cl.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is GIOUMGOVSZWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-12-9-5-11(7-1-3-8(16)4-2-7)19-14(9)18-6-10(12)13(17)20/h1-6H,(H2,17,20)(H,18,19).
What are the key properties of 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 289.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 11983906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).