5-bromo-1-[(3-fluorophenyl)methyl]indazole

C14H10BrFN2 — CID 138684864

IUPAC5-bromo-1-[(3-fluorophenyl)methyl]indazole
SMILESFc1cccc(Cn2ncc3cc(Br)ccc32)c1
InChIInChI=1S/C14H10BrFN2/c15-12-4-5-14-11(7-12)8-17-18(14)9-10-2-1-3-13(16)6-10/h1-8H,9H2
InChIKeyFLDPWDOHETXDLR-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.99
Rot. Bonds2

About 5-bromo-1-[(3-fluorophenyl)methyl]indazole

5-bromo-1-[(3-fluorophenyl)methyl]indazole (PubChem CID 138684864) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 5-bromo-1-[(3-fluorophenyl)methyl]indazole.

Molecular Properties

Compound Name5-bromo-1-[(3-fluorophenyl)methyl]indazole
PubChem CID138684864
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name5-bromo-1-[(3-fluorophenyl)methyl]indazole
SMILESFc1cccc(Cn2ncc3cc(Br)ccc32)c1
InChIInChI=1S/C14H10BrFN2/c15-12-4-5-14-11(7-12)8-17-18(14)9-10-2-1-3-13(16)6-10/h1-8H,9H2
InChIKeyFLDPWDOHETXDLR-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-fluorophenyl)methyl]indazole?
The IUPAC name of 5-bromo-1-[(3-fluorophenyl)methyl]indazole (CID 138684864) is 5-bromo-1-[(3-fluorophenyl)methyl]indazole.
What is the SMILES notation for 5-bromo-1-[(3-fluorophenyl)methyl]indazole?
The canonical SMILES for 5-bromo-1-[(3-fluorophenyl)methyl]indazole is Fc1cccc(Cn2ncc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[(3-fluorophenyl)methyl]indazole?
The InChIKey is FLDPWDOHETXDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c15-12-4-5-14-11(7-12)8-17-18(14)9-10-2-1-3-13(16)6-10/h1-8H,9H2.
What are the key properties of 5-bromo-1-[(3-fluorophenyl)methyl]indazole?
5-bromo-1-[(3-fluorophenyl)methyl]indazole has a molecular weight of 305.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-fluorophenyl)methyl]indazole is sourced from PubChem (CID 138684864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).