6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

C15H9ClF2N2O2 — CID 135289765

IUPAC6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1c(-c2ccc(C(F)F)cc2)cc2ccc(Cl)nc21
InChIInChI=1S/C15H9ClF2N2O2/c16-12-6-5-10-7-11(20(15(21)22)14(10)19-12)8-1-3-9(4-2-8)13(17)18/h1-7,13H,(H,21,22)
InChIKeyHNGRESWTNZQHOW-UHFFFAOYSA-N
MW322.70 g/mol
LogP4.82
Rot. Bonds2

About 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (PubChem CID 135289765) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
PubChem CID135289765
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1c(-c2ccc(C(F)F)cc2)cc2ccc(Cl)nc21
InChIInChI=1S/C15H9ClF2N2O2/c16-12-6-5-10-7-11(20(15(21)22)14(10)19-12)8-1-3-9(4-2-8)13(17)18/h1-7,13H,(H,21,22)
InChIKeyHNGRESWTNZQHOW-UHFFFAOYSA-N
XLogP4.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (CID 135289765) is 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is O=C(O)n1c(-c2ccc(C(F)F)cc2)cc2ccc(Cl)nc21.
What is the InChIKey of 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The InChIKey is HNGRESWTNZQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-12-6-5-10-7-11(20(15(21)22)14(10)19-12)8-1-3-9(4-2-8)13(17)18/h1-7,13H,(H,21,22).
What are the key properties of 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 135289765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).