1-benzyl-6-fluoroindazole

C14H11FN2 — CID 83414179

IUPAC1-benzyl-6-fluoroindazole
SMILESFc1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C14H11FN2/c15-13-7-6-12-9-16-17(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyIVWCXDUHWSGQSB-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.22
Rot. Bonds2

About 1-benzyl-6-fluoroindazole

1-benzyl-6-fluoroindazole (PubChem CID 83414179) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-benzyl-6-fluoroindazole.

Molecular Properties

Compound Name1-benzyl-6-fluoroindazole
PubChem CID83414179
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name1-benzyl-6-fluoroindazole
SMILESFc1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C14H11FN2/c15-13-7-6-12-9-16-17(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyIVWCXDUHWSGQSB-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-6-fluoroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
1-benzyl-6-ethenylindazole
CID 58486291
(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol
CID 58486137
1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
CID 105411272
2-(6-fluoroindazol-1-yl)acetaldehyde
CID 83827825
1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
CID 95073148
1-benzyl-5,6-dimethoxyindazole
CID 83414174
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
CID 79785038
5-(1-benzylindazol-6-yl)-1-methylpyridin-2-one
CID 175983877
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
1-(azetidin-3-ylmethyl)-6-fluoroindazole
CID 141365019

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-fluoroindazole?
The IUPAC name of 1-benzyl-6-fluoroindazole (CID 83414179) is 1-benzyl-6-fluoroindazole.
What is the SMILES notation for 1-benzyl-6-fluoroindazole?
The canonical SMILES for 1-benzyl-6-fluoroindazole is Fc1ccc2cnn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-fluoroindazole?
The InChIKey is IVWCXDUHWSGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-7-6-12-9-16-17(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-6-fluoroindazole?
1-benzyl-6-fluoroindazole has a molecular weight of 226.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-fluoroindazole is sourced from PubChem (CID 83414179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).