6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol

C18H18ClFN2O — CID 68883512

IUPAC6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1(F)c1nn(C2CCCC2)c2c(Cl)cccc12
InChIInChI=1S/C18H18ClFN2O/c19-14-9-5-8-13-16(14)22(12-6-1-2-7-12)21-17(13)18(20)11-4-3-10-15(18)23/h3-5,8-12,15,23H,1-2,6-7H2
InChIKeyHXNBDWBEHSNFDC-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.46
Rot. Bonds2

About 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol

6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 68883512) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol
PubChem CID68883512
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1(F)c1nn(C2CCCC2)c2c(Cl)cccc12
InChIInChI=1S/C18H18ClFN2O/c19-14-9-5-8-13-16(14)22(12-6-1-2-7-12)21-17(13)18(20)11-4-3-10-15(18)23/h3-5,8-12,15,23H,1-2,6-7H2
InChIKeyHXNBDWBEHSNFDC-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol (CID 68883512) is 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol is OC1C=CC=CC1(F)c1nn(C2CCCC2)c2c(Cl)cccc12.
What is the InChIKey of 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is HXNBDWBEHSNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-14-9-5-8-13-16(14)22(12-6-1-2-7-12)21-17(13)18(20)11-4-3-10-15(18)23/h3-5,8-12,15,23H,1-2,6-7H2.
What are the key properties of 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol?
6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 332.81 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1-cyclopentylindazol-3-yl)-6-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68883512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).