5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole

C13H10ClF2N5 — CID 177337070

IUPAC5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole
SMILESFc1c(Cl)cc2ccn(CC3(F)CC3)c2c1-c1nn[nH]n1
InChIInChI=1S/C13H10ClF2N5/c14-8-5-7-1-4-21(6-13(16)2-3-13)11(7)9(10(8)15)12-17-19-20-18-12/h1,4-5H,2-3,6H2,(H,17,18,19,20)
InChIKeyRKJJWCDTIPBAMT-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.12
Rot. Bonds3

About 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole

5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole (PubChem CID 177337070) has the molecular formula C13H10ClF2N5 and a molecular weight of 309.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole
PubChem CID177337070
Molecular FormulaC13H10ClF2N5
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole
SMILESFc1c(Cl)cc2ccn(CC3(F)CC3)c2c1-c1nn[nH]n1
InChIInChI=1S/C13H10ClF2N5/c14-8-5-7-1-4-21(6-13(16)2-3-13)11(7)9(10(8)15)12-17-19-20-18-12/h1,4-5H,2-3,6H2,(H,17,18,19,20)
InChIKeyRKJJWCDTIPBAMT-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole?
The IUPAC name of 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole (CID 177337070) is 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole is Fc1c(Cl)cc2ccn(CC3(F)CC3)c2c1-c1nn[nH]n1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole?
The InChIKey is RKJJWCDTIPBAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N5/c14-8-5-7-1-4-21(6-13(16)2-3-13)11(7)9(10(8)15)12-17-19-20-18-12/h1,4-5H,2-3,6H2,(H,17,18,19,20).
What are the key properties of 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole?
5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole has a molecular weight of 309.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 177337070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).