7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole

C14H13FN2 — CID 166395171

IUPAC7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole
SMILESCc1c(-c2cccc3c2NCC3)ccnc1F
InChIInChI=1S/C14H13FN2/c1-9-11(6-8-17-14(9)15)12-4-2-3-10-5-7-16-13(10)12/h2-4,6,8,16H,5,7H2,1H3
InChIKeyDKNUUQXWYMHARZ-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.16
Rot. Bonds1

About 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole

7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole (PubChem CID 166395171) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole
PubChem CID166395171
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole
SMILESCc1c(-c2cccc3c2NCC3)ccnc1F
InChIInChI=1S/C14H13FN2/c1-9-11(6-8-17-14(9)15)12-4-2-3-10-5-7-16-13(10)12/h2-4,6,8,16H,5,7H2,1H3
InChIKeyDKNUUQXWYMHARZ-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole
CID 97056669
7-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)-2,3-dihydro-1H-indole
CID 76846480
5-(2,3-dihydro-1H-indol-7-yl)-6-ethylpyridin-2-amine;hydrochloride
CID 166059208
8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 102969938
(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 69467310
6,7-dimethyl-2,3-dihydro-1H-indole
CID 16792444
8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 115505142
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
7-fluoro-2-methyl-5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
CID 96596939
3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline
CID 156563712
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 80648880

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole (CID 166395171) is 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole is Cc1c(-c2cccc3c2NCC3)ccnc1F.
What is the InChIKey of 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole?
The InChIKey is DKNUUQXWYMHARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c1-9-11(6-8-17-14(9)15)12-4-2-3-10-5-7-16-13(10)12/h2-4,6,8,16H,5,7H2,1H3.
What are the key properties of 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole?
7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole has a molecular weight of 228.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 166395171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).