2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole

C12H13FN4 — CID 150403505

IUPAC2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole
SMILESCc1c(CC(C)N=[N+]=[N-])[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN4/c1-7(16-17-14)5-12-8(2)10-6-9(13)3-4-11(10)15-12/h3-4,6-7,15H,5H2,1-2H3
InChIKeyHEGNDDXVSAOBLM-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole

2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole (PubChem CID 150403505) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole.

Molecular Properties

Compound Name2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole
PubChem CID150403505
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole
SMILESCc1c(CC(C)N=[N+]=[N-])[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN4/c1-7(16-17-14)5-12-8(2)10-6-9(13)3-4-11(10)15-12/h3-4,6-7,15H,5H2,1-2H3
InChIKeyHEGNDDXVSAOBLM-UHFFFAOYSA-N
XLogP3.86
TPSA64.55 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83859686
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
5-fluoro-3-methyl-2-propyl-1H-indole
CID 72942274
1-[(2S)-2-azidopropyl]-5-fluoro-3-methylindole
CID 54338968
1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene
CID 71270055
ethane;1-(5-fluoro-3-methyl-1H-indol-2-yl)-3-methylbutan-1-one
CID 162435430
1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 84620713
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 46967079
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole?
The IUPAC name of 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole (CID 150403505) is 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole.
What is the SMILES notation for 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole?
The canonical SMILES for 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole is Cc1c(CC(C)N=[N+]=[N-])[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole?
The InChIKey is HEGNDDXVSAOBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7(16-17-14)5-12-8(2)10-6-9(13)3-4-11(10)15-12/h3-4,6-7,15H,5H2,1-2H3.
What are the key properties of 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole?
2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole has a molecular weight of 232.26 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole is sourced from PubChem (CID 150403505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).