1-[(3-chlorophenyl)methyl]-6-fluoroindazole

C14H10ClFN2 — CID 141202076

IUPAC1-[(3-chlorophenyl)methyl]-6-fluoroindazole
SMILESFc1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H10ClFN2/c15-12-3-1-2-10(6-12)9-18-14-7-13(16)5-4-11(14)8-17-18/h1-8H,9H2
InChIKeyWIFSAVMJTDHDDM-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.88
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-6-fluoroindazole

1-[(3-chlorophenyl)methyl]-6-fluoroindazole (PubChem CID 141202076) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-fluoroindazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-fluoroindazole
PubChem CID141202076
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name1-[(3-chlorophenyl)methyl]-6-fluoroindazole
SMILESFc1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C14H10ClFN2/c15-12-3-1-2-10(6-12)9-18-14-7-13(16)5-4-11(14)8-17-18/h1-8H,9H2
InChIKeyWIFSAVMJTDHDDM-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-6-fluoroindazole
CID 83414179
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
1-benzyl-6-ethenylindazole
CID 58486291
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
CID 79785038
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609
1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
CID 22310949
1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
CID 53012821
1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
CID 105411272
1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
CID 107880816
1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
CID 53084774

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-fluoroindazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-fluoroindazole (CID 141202076) is 1-[(3-chlorophenyl)methyl]-6-fluoroindazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-fluoroindazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-fluoroindazole is Fc1ccc2cnn(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-fluoroindazole?
The InChIKey is WIFSAVMJTDHDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-12-3-1-2-10(6-12)9-18-14-7-13(16)5-4-11(14)8-17-18/h1-8H,9H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-fluoroindazole?
1-[(3-chlorophenyl)methyl]-6-fluoroindazole has a molecular weight of 260.70 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-fluoroindazole is sourced from PubChem (CID 141202076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).