6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole

C15H9ClFN5 — CID 4089456

IUPAC6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole
SMILESFc1cc2c(-c3nnnn3-c3ccccc3)c[nH]c2cc1Cl
InChIInChI=1S/C15H9ClFN5/c16-12-7-14-10(6-13(12)17)11(8-18-14)15-19-20-21-22(15)9-4-2-1-3-5-9/h1-8,18H
InChIKeyBWPZRUCMQOGTDU-UHFFFAOYSA-N
MW313.72 g/mol
LogP3.60
Rot. Bonds2

About 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole

6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole (PubChem CID 4089456) has the molecular formula C15H9ClFN5 and a molecular weight of 313.72 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole
PubChem CID4089456
Molecular FormulaC15H9ClFN5
Molecular Weight313.72 g/mol
Exact Mass313.05
IUPAC Name6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole
SMILESFc1cc2c(-c3nnnn3-c3ccccc3)c[nH]c2cc1Cl
InChIInChI=1S/C15H9ClFN5/c16-12-7-14-10(6-13(12)17)11(8-18-14)15-19-20-21-22(15)9-4-2-1-3-5-9/h1-8,18H
InChIKeyBWPZRUCMQOGTDU-UHFFFAOYSA-N
XLogP3.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole?
The IUPAC name of 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole (CID 4089456) is 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole.
What is the SMILES notation for 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole?
The canonical SMILES for 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole is Fc1cc2c(-c3nnnn3-c3ccccc3)c[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole?
The InChIKey is BWPZRUCMQOGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5/c16-12-7-14-10(6-13(12)17)11(8-18-14)15-19-20-21-22(15)9-4-2-1-3-5-9/h1-8,18H.
What are the key properties of 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole?
6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole has a molecular weight of 313.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-(1-phenyltetrazol-5-yl)-1H-indole is sourced from PubChem (CID 4089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).