ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile

C18H18FN3 — CID 144849193

IUPACethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile
SMILESCC.N#CCc1cn(Cc2ccc(F)cc2)c2ncccc12
InChIInChI=1S/C16H12FN3.C2H6/c17-14-5-3-12(4-6-14)10-20-11-13(7-8-18)15-2-1-9-19-16(15)20;1-2/h1-6,9,11H,7,10H2;1-2H3
InChIKeyDGHXGCMUWJTPRV-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.32
Rot. Bonds3

About ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile

ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile (PubChem CID 144849193) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Nameethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile
PubChem CID144849193
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Nameethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile
SMILESCC.N#CCc1cn(Cc2ccc(F)cc2)c2ncccc12
InChIInChI=1S/C16H12FN3.C2H6/c17-14-5-3-12(4-6-14)10-20-11-13(7-8-18)15-2-1-9-19-16(15)20;1-2/h1-6,9,11H,7,10H2;1-2H3
InChIKeyDGHXGCMUWJTPRV-UHFFFAOYSA-N
XLogP4.32
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413022
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetonitrile
CID 126457146
1-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-(1H-1,2,4-triazol-5-yl)ethane-1,2-dione
CID 10154815
[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414898
3-[[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzonitrile
CID 66412370
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
3-fluoro-4-[[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzonitrile
CID 66414300
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 115983327
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 79697393
[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 114930868
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
The IUPAC name of ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile (CID 144849193) is ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile.
What is the SMILES notation for ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
The canonical SMILES for ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile is CC.N#CCc1cn(Cc2ccc(F)cc2)c2ncccc12.
What is the InChIKey of ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
The InChIKey is DGHXGCMUWJTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3.C2H6/c17-14-5-3-12(4-6-14)10-20-11-13(7-8-18)15-2-1-9-19-16(15)20;1-2/h1-6,9,11H,7,10H2;1-2H3.
What are the key properties of ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile?
ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile has a molecular weight of 295.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 144849193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).