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

C14H9ClFN3O — CID 141423107

IUPAC6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C14H9ClFN3O/c15-12-5-4-8-6-11(18-13(8)19-12)14(20)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,20)(H,18,19)
InChIKeyUNCDOEBRUVYZQV-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.61
Rot. Bonds2

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

6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141423107) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141423107
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C14H9ClFN3O/c15-12-5-4-8-6-11(18-13(8)19-12)14(20)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,20)(H,18,19)
InChIKeyUNCDOEBRUVYZQV-UHFFFAOYSA-N
XLogP3.61
TPSA57.78 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 ≤ 53.61
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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Related Compounds

N-(1H-Benzimidazol-2-YL)-3-chlorobenzamide
CID 898010
N-(1H-benzimidazol-2-yl)-4-chlorobenzamide
CID 2094705
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
5-amino-2-chloro-3-ethyl-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 168272629
US9738640, Example 7
CID 90646732
4-Chloro-1,3-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 137646513
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141423107) is 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1cccc(F)c1)c1cc2ccc(Cl)nc2[nH]1.
What is the InChIKey of 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is UNCDOEBRUVYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-12-5-4-8-6-11(18-13(8)19-12)14(20)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,20)(H,18,19).
What are the key properties of 6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-chloro-N-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 289.70 g/mol, XLogP of 3.61, 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-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141423107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).