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

C14H8ClF2N3O — CID 141423119

IUPAC6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C14H8ClF2N3O/c15-12-4-1-7-5-11(19-13(7)20-12)14(21)18-8-2-3-9(16)10(17)6-8/h1-6H,(H,18,21)(H,19,20)
InChIKeyICPCECHPKMYEGL-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.75
Rot. Bonds2

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

6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141423119) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141423119
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C14H8ClF2N3O/c15-12-4-1-7-5-11(19-13(7)20-12)14(21)18-8-2-3-9(16)10(17)6-8/h1-6H,(H,18,21)(H,19,20)
InChIKeyICPCECHPKMYEGL-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-Chloranyl-1-Methyl-2-[4-(4-Methylpiperazin-1-Yl)phenyl]pyrrolo[2,3-B]pyridine-6-Carboxamide
CID 129012056
4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 132451818
US9738640, Example 7
CID 90646732
1-(4-chloro-3-fluorophenyl)-N-cyclopropylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 148136688
[1-(4-Chloro-3,5-difluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 149774877
[1-(4-Chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 152282265
N-(3-(1H-Benzo[d]imidazol-2-yl)-4-chlorophenyl)-4-fluorobenzamide
CID 45484465
N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134788065
4-Chloro-1,3-dimethyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 137634495
3,4-Dichloro-1-piperidin-3-yl-2-(trifluoromethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 137650076
4-Chloro-1-methyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 137650805
4-(3-chlorophenyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137652238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141423119) is 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc2ccc(Cl)nc2[nH]1.
What is the InChIKey of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ICPCECHPKMYEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-12-4-1-7-5-11(19-13(7)20-12)14(21)18-8-2-3-9(16)10(17)6-8/h1-6H,(H,18,21)(H,19,20).
What are the key properties of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 307.69 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141423119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).