7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole

C13H12FN3 — CID 113394357

IUPAC7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
SMILESFC(c1cncnc1)c1cccc2c1NCC2
InChIInChI=1S/C13H12FN3/c14-12(10-6-15-8-16-7-10)11-3-1-2-9-4-5-17-13(9)11/h1-3,6-8,12,17H,4-5H2
InChIKeyDBGCNLHYGWXNDP-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.50
Rot. Bonds2

About 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole

7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 113394357) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID113394357
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
SMILESFC(c1cncnc1)c1cccc2c1NCC2
InChIInChI=1S/C13H12FN3/c14-12(10-6-15-8-16-7-10)11-3-1-2-9-4-5-17-13(9)11/h1-3,6-8,12,17H,4-5H2
InChIKeyDBGCNLHYGWXNDP-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 106647083
7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 114523652
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
7-(1-fluoro-2-pyridin-4-ylethyl)-2,3-dihydro-1H-indole
CID 113394346
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261
7-[fluoro-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]-2,3-dihydro-1H-indole
CID 114667952
(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 55278047
7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 114624523
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288
(3R)-3-amino-3-(2,3-dihydro-1H-indol-7-yl)propan-1-ol
CID 55264438

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole (CID 113394357) is 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole is FC(c1cncnc1)c1cccc2c1NCC2.
What is the InChIKey of 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is DBGCNLHYGWXNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-12(10-6-15-8-16-7-10)11-3-1-2-9-4-5-17-13(9)11/h1-3,6-8,12,17H,4-5H2.
What are the key properties of 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole?
7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 229.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 113394357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).