2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

C11H11ClFN3O — CID 166427820

IUPAC2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESO=C(NCCc1c[nH]c2ncccc12)C(F)Cl
InChIInChI=1S/C11H11ClFN3O/c12-9(13)11(17)15-5-3-7-6-16-10-8(7)2-1-4-14-10/h1-2,4,6,9H,3,5H2,(H,14,16)(H,15,17)
InChIKeyTUAVQGDRTJUTIZ-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.76
Rot. Bonds4

About 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 166427820) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
PubChem CID166427820
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESO=C(NCCc1c[nH]c2ncccc12)C(F)Cl
InChIInChI=1S/C11H11ClFN3O/c12-9(13)11(17)15-5-3-7-6-16-10-8(7)2-1-4-14-10/h1-2,4,6,9H,3,5H2,(H,14,16)(H,15,17)
InChIKeyTUAVQGDRTJUTIZ-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 122081853
1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 167829740
CID 89301473
CID 89301473
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
CID 166389608
N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (CID 166427820) is 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is O=C(NCCc1c[nH]c2ncccc12)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is TUAVQGDRTJUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c12-9(13)11(17)15-5-3-7-6-16-10-8(7)2-1-4-14-10/h1-2,4,6,9H,3,5H2,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 255.68 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 166427820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).