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

C14H8Cl2FN3O — CID 141423103

IUPAC6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C14H8Cl2FN3O/c15-9-3-2-8(6-10(9)17)18-14(21)11-5-7-1-4-12(16)20-13(7)19-11/h1-6H,(H,18,21)(H,19,20)
InChIKeyKFCXLOVCXZIEKM-UHFFFAOYSA-N
MW324.14 g/mol
LogP4.26
Rot. Bonds2

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

6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141423103) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141423103
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C14H8Cl2FN3O/c15-9-3-2-8(6-10(9)17)18-14(21)11-5-7-1-4-12(16)20-13(7)19-11/h1-6H,(H,18,21)(H,19,20)
InChIKeyKFCXLOVCXZIEKM-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141423103) is 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)c1cc2ccc(Cl)nc2[nH]1.
What is the InChIKey of 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KFCXLOVCXZIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c15-9-3-2-8(6-10(9)17)18-14(21)11-5-7-1-4-12(16)20-13(7)19-11/h1-6H,(H,18,21)(H,19,20).
What are the key properties of 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 324.14 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141423103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).