1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone

C21H15ClFN3O2 — CID 159713207

IUPAC1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl
InChIInChI=1S/C21H15ClFN3O2/c22-17-6-2-1-4-14(17)18(27)10-12-7-8-15(20(23)26-12)19(28)16-11-25-21-13(16)5-3-9-24-21/h1-9,11,19,28H,10H2,(H,24,25)
InChIKeyJLMZXKFXTYRIKS-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.26
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone

1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone (PubChem CID 159713207) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone
PubChem CID159713207
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl
InChIInChI=1S/C21H15ClFN3O2/c22-17-6-2-1-4-14(17)18(27)10-12-7-8-15(20(23)26-12)19(28)16-11-25-21-13(16)5-3-9-24-21/h1-9,11,19,28H,10H2,(H,24,25)
InChIKeyJLMZXKFXTYRIKS-UHFFFAOYSA-N
XLogP4.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-fluoro-phenyl)-[5-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 86267714
2-chloro-4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzoic acid
CID 127040030
(2-chlorophenyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 86267713
5-chloro-6-{6-[(2-pyridinylmethyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl}nicotinic acid
CID 56908331
2-[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 25123906
[5-[4-chloro-3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
CID 25124235
2-[5-[4-chloro-3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537560
[5-[4-chloro-3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
CID 57537576
[5-(4-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-(3-fluoro-2-pyridinyl)methanol
CID 57537578
2-[5-[4-chloro-3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxyacetamide
CID 57537585
2-[5-[4-chloro-3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537610
2-[2-amino-5-[4-chloro-3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537629

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone (CID 159713207) is 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone is O=C(Cc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone?
The InChIKey is JLMZXKFXTYRIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c22-17-6-2-1-4-14(17)18(27)10-12-7-8-15(20(23)26-12)19(28)16-11-25-21-13(16)5-3-9-24-21/h1-9,11,19,28H,10H2,(H,24,25).
What are the key properties of 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone?
1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone has a molecular weight of 395.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 159713207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).