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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Related Compounds

5-chloro-1-[(3,3-difluorocyclobutyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)indole
CID 177337084
5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole
CID 177336999
5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole
CID 177336440
5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole
CID 177336961
5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole
CID 177336970
5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
CID 177337042
7-chloro-6-fluoro-4-(4-fluorobutyl)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 177336456
5-(3-chloro-2-fluorophenyl)-2H-tetrazole
CID 63034901
5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole
CID 177336757
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
7-chloro-6-fluoro-4-[(3-fluoro-4-methoxyphenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 177336829
3-[[2-chloro-4-[5-chloro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-1H-pyrimidine-2,4-dione
CID 170961338

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).